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In this work, a simple but efficient approach to synthesize sodium hexadecyl sulfate (SHS) intercalated layered double hydroxide (CaAl-LDH-SHS) is proposed. By intercalating SHS ions into the hydrates of C3A, CaAl-LDH-SHS is successfully prepared within 2 h at 25 °C. In order to understand the intercalation behavior and structure of the products, various techniques such as powder X-ray diffraction (XRD), thermogravimetric-differential thermal analysis (TG-DTA), scanning electron microscopy (SEM) and mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy were adopted. The XRD analysis revealed that SHS was successfully intercalated into the hydrate of C3A, with an expanded basal spacing d(001) of 2.66 nm. The C H and S O stretching vibrations observed in the FT-IR spectra further evidenced the presence of SHS in the resulting products. The average platelet diameter of 1–2 μm and average thickness of 20–30 nm of CaAl-LDH-SHS were obtained from the SEM image and XRD analysis.

Raman spectroscopy was used to characterize and differentiate the two minerals, Orpiment and Realgar, and the bands related to the mineral structure. The Raman spectra of these two minerals are div...

A novel kaolinite/g-C3N4 (KA/CN) composite with enhanced visible light-driven photocatalytic activity was prepared through a simple mechanochemical method. The microstructure and interface properties of the obtained nanocomposites were characterized by X-ray diffraction (XRD), surface area measurement (BET), Fourier transform infrared spectroscopy (FTIR), high resolution scanning electron microscope (HR-SEM), energy dispersive X-ray spectroscopy (EDS), UV–visible diffused reflectance spectroscopy (UV–vis DRS) and photoluminescence spectroscopy (PL). It is indicated that g-C3N4 and kaolinite coexisted in the composite photocatalysts. Compared with the single g-C3N4 or kaolinite and kaolinite/g-C3N4 physical mixtures, the as-synthesized KA/CN composites exhibited significantly enhanced photocatalytic activity after mechanochemical treatment under visible-light irradiation, which was almost 4.0 times that of the pure g-C3N4. The enhanced photocatalytic activity of the kaolinite/g-C3N4 composite could be attributed not only to its high adsorption capacity but also to the synergistic effects between g-C3N4 and kaolinite, effectively reducing the recombination probability of photogenerated electron-hole pairs.

We have studied the phosphate mineral kryzhanovskite (Fe 3+ ,Mn 2+ ) 3 (PO 4 ) 2 (OH,H 2 O) which is a member of the phosphoferrite mineral group using a combination of scanning electron microscopy with energy dispersive spectroscopy and Raman and infrared spectroscopy. Chemical analysis shows the presence of P, Mn and Fe and confirms the formula given above. The presence of hydroxyl units in the structure is indicative of ferric iron in the formula that is an oxidised product. Raman spectroscopy coupled with infrared spectroscopy supports the concept of phosphate, hydrogen phosphate and dihydrogen phosphate units in the structure of kryzhanovskite -phosphoferrite. Infrared and Raman bands attributed to water and hydroxyl stretching modes are identified. Vibrational spectroscopy adds useful information to the molecular structure of kryzhanovskite -phosphoferrite.

A novel method has been presented to characterize electron transfer in layered double hydroxides (LDHs) utilizing an investigation combing FTIR and infrared emission spectroscopy. At room temperature, electron could transfer to interlayer Fe(3+) through monodentate ligand cyanide, and resulted in a reduction of 40% Fe(3+) to Fe(2+). When the environmental temperature increased from 25 to 300°C, reduction of Fe(3+) and Ni(2+) increased to 94% and 42%. Furthermore, electron also transferred to interlayer cation through multidentate ligand EDTA. As a result, LDHs has been proven to be an effective electron donor, and FTIR was a feasible tool in characterizing this property by monitoring the valence state of cations. It was also concluded that octahedral units with OH(-) groups in LDH layer functioned as electron donor centers. Driving force for electron transfer is attributed to the charge density difference between cation layer and probe anion. These results could help to explain the mechanism of various applications of LDHs in catalysis and photocatalysis.

A laueite mineral sample from Lavra Da Ilha, Minas Gerais, Brazil has been studied by vibrational spectroscopy and scanning electron microscopy with EDX. Chemical formula calculated on the basis of semi-quantitative chemical analysis can be expressed as (Mn 2+ 0.85 ,Fe 2+ 0.10 Mg 0.05 ) ∑1.00 (Fe 3+ 1.90, Al 0.10 ) ∑2.00 (PO 4 ) 2 (OH) 2 ·8H 2 O. The laueite structure is based on an infinite chains of vertex-linked oxygen octahedra, with Fe 3+ occupying the octahedral centers, the chain oriented parallel to the c -axis and linked by PO 4 groups. Consequentially not all phosphate units are identical. Two intense Raman bands observed at 980 and 1045 cm −1 are assigned to the ν 1 PO 4 3− symmetric stretching mode. Intense Raman bands are observed at 525 and 551 cm −1 with a shoulder at 542 cm −1 are assigned to the ν 4 out of plane bending modes of the PO 4 3− . The observation of multiple bands supports the concept of non-equivalent phosphate units in the structure. Intense Raman bands are observed at 3379 and 3478 cm −1 and are attributed to the OH stretching vibrations of the hydroxyl units. Intense broad infrared bands are observed. Vibrational spectroscopy enables subtle details of the molecular structure of laueite to be determined.

We have studied the mineral rostite, a sulphate mineral of aluminium of formula AlSO 4 (OH,F)·5(H 2 O). The mineral is formed in mine dumps and wastes. Chemical analysis proves the presence of Al, F and S. A single intense band is observed at 991 cm −1 and is assigned to the Raman active SO 4 2− ν 1 symmetric stretching vibration. Low intensity Raman bands observed at 1070, 1083, 1131 and 1145 cm −1 are assigned to the SO 4 2− ν 3 antisymmetric stretching vibration. Multiple Raman and infrared bands in the OH stretching region are assigned to the stretching vibrations of water. The higher wavenumber band at ∼3400 cm −1 may be due to the hydroxyl stretching vibrational mode. These multiple bands prove that water is involved in different molecular environments with different hydrogen bond strengths. Vibrational spectroscopy enhances our knowledge of the molecular structure of rostite.

Due to the supply-side reform and environmental protection in China, many small coal mines have been closed since 2015. However, acid mine drainage from these coal mines are continuously discharging into many rural creeks, which requires the systematical investigation on the variations of geochemical and environmental biological aspects in these water systems. In this study, from a classic acid mine drainage (AMD) from a closed coal mine of Hunan, China, various sediments and water samples in different sections were collected and analyzed. According to the corresponding Mineralogical and simple bacterial characteristics analysis (16S rRNA gene sequencing), the main findings were: 1) Secondary iron-containing minerals gradually transited from Gr(CO32−) (green rust), Sh (schwertmannite) to Akg (Akaganeite) and more stable Gt (Goethite); 2) compared to the pristine sediment, these minerals decreased the acid-neutralizing capacity and cation exchange capacity (CEC) of sediments; 3) Proteobacteria and Firmicutes were the dominant phyla and the obvious variation of Firmicutes species was observed in the creek affected by AMD, which probably could been a biological index to diagnose the natural attenuation of AMD. These results could be greatly significant to understand typical variations of creek attenuation and bacterial community in the presence of high metal and sulfate concentration.

The mineral aerinite is an interesting mineral because it contains both silicate and carbonate units which is unusual. It is also a highly colored mineral being bright blue/purple. We have studied aerinite using a combination of techniques which included scanning electron microscopy, energy dispersive X-ray analysis, Raman and infrared spectroscopy. Raman bands at 1049 and 1072 cm−1 are assigned to the carbonate symmetric stretching mode. This observation supports the concept of the non-equivalence of the carbonate units in the structure of aerinite. Multiple infrared bands at 1354, 1390 and 1450 cm−1 supports this concept. Raman bands at 933 and 974 cm−1 are assigned to silicon–oxygen stretching vibrations. Multiple hydroxyl stretching and bending vibrations show that water is in different molecular environments in the aerinite structure.

The mineral fraipontite has been studied by using a combination of scanning electron microscopy with energy dispersive analysis and vibrational spectroscopy (infrared and Raman). Fraipontite is a member of the 1:1 clay minerals of the kaolinite-serpentine group. The mineral contains Zn and Cu and is of formula (Cu,Zn,Al)3(Si,Al)2O5(OH)4. Qualitative chemical analysis of fraipontite shows an aluminium silicate mineral with amounts of Cu and Zn. This kaolinite type mineral has been characterised by Raman and infrared spectroscopy; in this way aspects about the molecular structure of fraipontite clay are elucidated.

We have undertaken a study of the tellurite mineral sonorite using electron microscopy with EDX combined with vibrational spectroscopy. Chemical analysis shows a homogeneous composition, with predominance of Te, Fe, Ce and In with minor amounts of S. Raman spectroscopy has been used to study the mineral sonoraite an examples of group A(XO₃), with hydroxyl and water units in the mineral structure. The free tellurite ion has C₃v symmetry and four modes, 2A₁ and 2E. An intense Raman band at 734 cm(-1) is assigned to the ν₁ (TeO₃)(2-) symmetric stretching mode. A band at 636 cm(-1) is assigned to the ν₃ (TeO₃)(2-) antisymmetric stretching mode. Bands at 350 and 373 cm(-1) and the two bands at 425 and 438 cm(-1) are assigned to the (TeOv)(2-)ν₂ (A₁) bending mode and (TeO₃)(2-)ν₄ (E) bending modes. The sharp band at 3283 cm(-1) assigned to the OH stretching vibration of the OH units is superimposed upon a broader spectral profile with Raman bands at 3215, 3302, 3349 and 3415 cm(-1) are attributed to water stretching bands. The techniques of Raman and infrared spectroscopy are excellent for the study of tellurite minerals.

The mineral lamprophyllite is fundamentally a silicate based upon tetrahedral siloxane units with extensive substitution in the formula. Lamprophyllite is a complex group of sorosilicates with general chemical formula given as A2B4C2Si2O7(X)4, where the site A can be occupied by strontium, barium, sodium, and potassium; the B site is occupied by sodium, titanium, iron, manganese, magnesium, and calcium. The site C is mainly occupied by titanium or ferric iron and X includes the anions fluoride, hydroxyl, and oxide. Chemical composition shows a homogeneous phase, composed of Si, Na, Ti, and Fe. This complexity of formula is reflected in the complexity of both the Raman and infrared spectra. The Raman spectrum is characterized by intense bands at 918 and 940 cm−1. Other intense Raman bands are found at 576, 671, and 707 cm−1. These bands are assigned to the stretching and bending modes of the tetrahedral siloxane units.

We have studied the mineral kaliborite. The sample originated from the Inder B deposit, Atyrau Province, Kazakhstan, and is part of the collection of the Geology Department of the Federal University of Ouro Preto, Minas Gerais, Brazil. The mineral is characterized by a single intense Raman band at 756 cm−1 assigned to the symmetric stretching modes of trigonal boron. Raman bands at 1229 and 1309 cm−1 are assigned to hydroxyl in-plane bending modes of boron hydroxyl units. Raman bands are resolved at 2929, 3041, 3133, 3172, 3202, 3245, 3336, 3398, and 3517 cm−1. These Raman bands are assigned to water stretching vibrations. A very intense sharp Raman band at 3597 cm−1 with a shoulder band at 3590 cm−1 is assigned to the stretching vibration of the hydroxyl units. The Raman data are complimented with infrared data and compared with the spectrum of kaliborite downloaded from the Arizona State University database. Differences are noted between the spectrum obtained in this work and that from the Arizona State...

We have studied the borate mineral szaibelyite MgBO 2 (OH) using electron microscopy and vibrational spectroscopy. EDS spectra show a phase composed of Mg with minor amounts of Fe. Both tetrahedral and trigonal boron units are observed. The nominal resolution of the Raman spectrometer is of the order of 2 cm −1 and as such is sufficient enough to identify separate bands for the stretching bands of the two boron isotopes. The Raman band at 1099 cm −1 with a shoulder band at 1093 cm −1 is assigned to BO stretching vibration. Raman bands at 1144, 1157, 1229, 1318 cm −1 are attributed to the BOH in-plane bending modes. Raman bands at 836 and 988 cm −1 are attributed to the antisymmetric stretching modes of tetrahedral boron. The infrared bands at 3559 and 3547 cm −1 are assigned to hydroxyl stretching vibrations. Broad infrared bands at 3269 and 3398 cm −1 are assigned to water stretching vibrations. Infrared bands at 1306, 1352, 1391, 1437 cm −1 are assigned to the antisymmetric stretching vibrations of trigonal boron. Vibrational spectroscopy enables aspects of the molecular structure of the borate mineral szaibelyite to be assessed.

The mineral chloritoid collected from the argillite in the bottom of Yaopo Formation of Western Beijing was characterized by mid-infrared (MIR) and near-infrared (NIR) spectroscopy. The MIR spectra showed all fundamental vibrations including the hydroxyl units, basic aluminosilicate framework and the influence of iron on the chloritoid structure. The NIR spectrum of the chloritoid showed combination (ν + δ)OH bands with the fundamental stretching (ν) and bending (δ) vibrations. Based on the chemical component data and the analysis result from the MIR and NIR spectra, the crystal structure of chloritoid from western hills of Beijing, China, can be illustrated. Therefore, the application of the technique across the entire infrared region is expected to become more routine and extend its usefulness, and the reproducibility of measurement and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for the unit cell structural analysis.

Samples of marble from Chillagoe, North Queensland have been analysed using scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) and Raman spectroscopy. Different types of marble were studied including soft white marble, hard white marble and a black marble. In this work, we try to ascertain why the black marble has this colour. Chemical analyses provide evidence for the presence of minerals other calcite in the marble, including the pyrite mineral. Some of these chemical analyses correspond to pyrite minerals in the black marble. The Raman spectra of these crystals were obtained and the Raman spectrum corresponds to that of pyrite from the RRUFF data base. The combination of SEM with EDS and Raman spectroscopy enables the characterisation of the mineral pyrite in Chillagoe black marble. Copyright © 2015 John Wiley & Sons, Ltd.

The minerals clinotyrolite and fuxiaotuite are discredited in terms of the mineral tangdanite. The mixed anion mineral tangdanite Ca2Cu9(AsO4)4(SO4)0.5(OH)9 9H2O has been studied using a combination of Raman and infrared spectroscopy. Characteristic bands associated with arsenate, sulphate and hydroxyl units are identified. Broad bands in the OH stretching region are observed and are resolved into component bands. These bands are assigned to water and hydroxyl stretching vibrations. Two intense Raman bands at 837 and approximately 734 cm−1 are assigned to the ν1 (AsO4)3− symmetric stretching and ν3 (AsO4)3− antisymmetric stretching modes. Infrared bands at 1023 cm−1 are assigned to the (SO4)2− ν1 symmetric stretching mode, and infrared bands at 1052, 1110 and 1132 cm−1 assigned to (SO4)2− ν3 antisymmetric stretching modes, confirming the presence of the sulphate anion in the tangdanite structure. Raman bands at 593 and 628 cm−1 are attributed to the (SO4)2− ν4 bending modes. Low-intensity Raman bands found at 457 and 472 cm−1 are assigned to the (AsO4)3− ν2 bending modes. A comparison is made with the previously obtained spectral data on the discredited mineral clinotyrolite. Copyright © 2015 John Wiley & Sons, Ltd.

We have studied the mineral kornerupine, a borosilicate mineral, by using a combination of scanning electron microscopy with energy-dispersive analysis and Raman and infrared spectroscopy. Qualitative chemical analysis of kornerupine shows a magnesium–aluminum silicate. Strong Raman bands at 925, 995, and 1051 cm−1 with bands of lesser intensity at 1035 and 1084 cm−1 are assigned to the silicon–oxygen stretching vibrations of the siloxane units. Raman bands at 923 and 947 cm−1 are attributed to the symmetrical stretching vibrations of trigonal boron. Infrared spectra show greater complexity and the infrared bands are more difficult to assign. Two intense Raman bands at 3547 and 3612 cm−1 are assigned to the stretching vibrations of hydroxyl units. The infrared bands are observed at 3544 and 3610 cm−1. Water is also identified in the spectra of kornerupine.

The mineral tunisite has been studied by using a combination of scanning electron microscopy with energy dispersive X-ray fluorescence and vibrational spectroscopy. Chemical analysis shows the presence of Na, Ca, Al and Cl. SEM shows a pure single phase. An intense Raman band at 1127 cm(-1) is assigned to the carbonate ν1 symmetric stretching vibration and the Raman band at 1522 cm(-1) is assigned to the ν3 carbonate antisymmetric stretching vibration. Infrared bands are observed in similar positions. Multiple carbonate bending modes are found. Raman bands attributable to AlO stretching and bending vibrations are observed. Two Raman bands at 3419 and 3482 cm(-1) are assigned to the OH stretching vibrations of the OH units. Vibrational spectroscopy enables aspects of the molecular structure of the carbonate mineral tunisite to be assessed.

The molecular structure of the copper-lead silicate mineral luddenite has been analysed using vibrational spectroscopy. The mineral is only one of many silicate minerals containing copper. The intense Raman band at 978 cm(-1) is assigned to the ν1 (A1g) symmetric stretching vibration of Si5O14 units. Raman bands at 1122, 1148 and 1160 cm(-1) are attributed to the ν3 SiO4 antisymmetric stretching vibrations. The bands in the 678-799 cm(-1) are assigned to OSiO bending modes of the (SiO3)n chains. Raman bands at 3317 and 3329 cm(-1) are attributed to water stretching bands. Bands at 3595 and 3629 cm(-1) are associated with the stretching vibrations of hydroxyl units suggesting that hydroxyl units exist in the structure of luddenite.

The mineral ushkovite has been analyzed using a combination of electron microscopy with EDX and vibrational spectroscopy. Chemical analysis shows the mineral contains P, Mg with very minor Fe. Thus, the formula of the studied ushkovite is Mg3 2+(PO4)2 8H2O. The Raman spectrum shows an intense band at 953 cm 1 assigned to the m1 symmetric stretching mode. In the infrared spectra complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong infrared bands around 827 cm 1 are attributed to water librational modes. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 2881, 2998, 3107, 3203, 3284 and 3457 cm 1. The wavenumber band at 3457 cm 1 is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH bending modes where a strong infrared band centered around 1653 cm 1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH bending bands from strongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. Vibrational spectroscopy enhances our knowledge of the molecular structure of ushkovite.

Marble from the Chillagoe deposits was extensively used in the construction of Australia's parliament house. Near infrared (NIR) spectroscopy has been applied to study the quality of marble from the Chillagoe marble deposits and to distinguish between different types of marble in the Chillagoe deposits. A comparison of the NIR spectra of marble with dolomite and monohydrocalcite is made. The spectrum of the marble closely resembles that of monohydrocalcite and is different from that of dolomite. The infrared spectra of the minerals are characterised by OH and water stretching vibrations. Both the first and second fundamental overtones of these bands are observed in the NIR spectra. Marble is characterised by NIR bands at 4005 cm−1, 4268 cm−1 and 4340 cm−1, attributed to carbonate combination bands and overtones. Marble also shows NIR bands at 5005 cm−1, 5106 cm−1, 5234 cm−1 and 5334 cm−1 assigned to water combination bands. Finally, the NIR spectrum of the marble displays broad low-intensity features centred upon 6905 cm−1 attributed to the water first overtones. It appears feasible to identify marble through the use of NIR spectroscopy.

Austinite (CaZnAsO4⋅OH) is a unique secondary mineral in arsenic-contaminated mine wastes. The infrared and Raman spectroscopies were used to characterize the austenite vibrations. The IR bands at 369, 790 and 416 cm(-1) are assigned to the ν2, ν3 and ν4 vibrations of AsO4(3-) unit, respectively. The Raman bands at 814, 779 and 403 cm(-1) correspond to the ν1, ν3 and ν4 vibrations of AsO4(3(-) unit respectively. The sharp bands at 3265 cm(-1) for IR and 3270 cm(-(1) both reveals that the structural hydroxyl units exist in the austenite structure. The IR and Raman spectra both show that some SO4 units isomorphically replace AsO4 in austinite. X-ray single crystal diffraction provides the arrangement of each atom in the mineral structure, and also confirms that the conclusions made from the vibrational spectra. Micro-powder diffraction was used to confirm our mineral identification due to the small quantity of the austenite crystals.

Tooeleite is an unique ferric arsenite sulfate mineral, which has the potential significance of directly fixing As(III) as mineral trap. The tooeleite and various precipitates were hydrothermally synthesized under the different of initial As(III)/As(V) molar ratios and characterized by XRD, FTIR, XPS and SEM. The crystallinity of tooeleite decreases with the amount of As(V). The precipitate is free of any crystalline tooeleite at the level of that XRD could detect when the ratio of As(III)/As(V) of 7:3 and more. The characteristic bands of tooeleite are observed in 772, 340, 696 and 304 cm−1, which are assigned to the ν1, ν2, ν3 and ν4 vibrations of AsO33−. These intensities of bands gradually decreases with the presence of As(V) and its increasing. An obviously wide band is observed in 830 cm−1, which is the ν1 vibration of AsO4. The result of XPS reveals that the binding energies of As3d increase from 44.0 eV to 45.5 eV, which indicates that the amount of As(V) in the precipitates increases. The concentrations of arsenic released of these precipitates are 350–650 mg/L. The stability of tooeleite decreases by comparison when the presence of coexisting As(V) ions.

The approach to remove greenhouse gases by pumping liquid CO2 several kilometres below the ground implies that many carbonate containing minerals will be formed. Among these minerals, the formation of hydromagnesite, dypingite and nesquehonite are possible, thus necessitating a study of such minerals. These minerals with a hydrotalcite-related formulae have been characterised by a combination of infrared and near infrared spectroscopy. Layered double hydroxides (also known as anionic clays or hydrotalcites) are a group of layered clay minerals described by the general formula: [M1– x2+M x3+(OH)2] x+[A n–] x/ n· mH2O. The infrared spectra of the minerals are characterised by OH and water stretching vibrations. Both the first and second fundamental overtones of these bands are observed in the NIR spectra in the 7030–7235 cm−1 and 10,490–10,570 cm−1 spectral ranges. Intense (CO3)2– symmetrical and anti-symmetrical stretching vibrations confirm the distortion of the carbonate anion. The position of the water bending vibration indicates water is strongly hydrogen-bonded to the carbonate anion in the mineral structure. NIR spectroscopy offers a method for quickly analysing such materials.

We have studied the mineral analcime using a combination of scanning electron microscopy with energy dispersive spectroscopy and vibrational spectroscopy. The mineral analcime Na2(Al4SiO4O12)·2H2O is a crystalline sodium silicate. Chemical analysis shows the mineral contains a range of elements including Na, Al, Fe(2+) and Si. The mineral is characterized by intense Raman bands observed at 1052, 1096 and 1125cm(-1). The infrared bands are broad; nevertheless bands may be resolved at 1006 and 1119cm(-1). These bands are assigned to SiO stretching vibrational modes. Intense Raman band at 484cm(-1) is attributed to OSiO bending modes. Raman bands observed at 2501, 3542, 3558 and 3600cm(-1) are assigned to the stretching vibrations of water. Low intensity infrared bands are noted at 3373, 3529 and 3608cm(-1). The observation of multiple water bands indicate that water is involved in the structure of analcime with differing hydrogen bond strengths. This concept is supported by the number of bands in the water bending region. Vibrational spectroscopy assists with the characterization of the mineral analcime.

The mineral sulphohalite - Na6(SO4)2FCl is a rare sodium halogen sulphate and occurs associated with evaporitic deposits. Sulphohalite formation is important in saline evaporites and in pipe scales. Sulphohalite is an anhydrous sulphate-halide with an apparent variable anion ratio of formula Na6(SO4)2FCl. Such a formula with oxyanions lends itself to vibrational spectroscopy. The Raman band at 1003cm(-1) is assigned to the (SO4)(2-) ν1 symmetric stretching mode. Shoulders to this band are found at 997 and 1010cm(-1). The low intensity Raman bands at 1128, 1120 and even 1132cm(-1) are attributed to the (SO4)(2-) ν3 antisymmetric stretching vibrations. Two symmetric sulphate stretching modes are observed indicating at least at the molecular level the non-equivalence of the sulphate ions in the sulphohalite structure. The Raman bands at 635 and 624cm(-1) are assigned to the ν4 SO4(2-) bending modes. The ν2 (SO4)(2-) bending modes are observed at 460 and 494cm(-1). The observation of multiple bands supports the concept of a reduction in symmetry of the sulphate anion from Td to C3v or even C2v. No evidence of bands attributable to the halide ions was found.

We have undertaken a study of the mineral koninckite from Litosice (Czech Republic), a hydrated ferric phosphate, using a combination of scanning electron microscopy with electron probe micro-analyzer (wavelength-dispersive spectroscopy) and vibrational spectroscopy. Chemical analysis shows that studied koninckite is a pure phase with an empirical formula Fe3+ (0.99)(PO4)(1.00) center dot 2.75 H2O, with minor enrichment in Al, Ca, Ti, Si, Zn, and K (averages 0.00X apfu). Raman bands and shoulders at 3495, 3312, 3120, and 2966 cm(-1) and infrared bands and shoulders at 3729, 3493, 3356, 3250, 3088, 2907, and 2706 cm(-1) are assigned to the nu OH stretching of structurally distinct differently hydrogen bonded water molecules, A Raman band at 1602 cm(-1) and shoulders at 1679, 1659, 1634, and 1617 cm(-1) and infrared bands at 1650 and 1598 cm(-1) are assigned to the nu(2)(delta) H2O bending vibrations of structurally distinct differently hydrogen bonded water molecules. Raman shoulders at 1576, 1554, 1541, 1532, and 1520 cm(-1) and infrared shoulders at 1541 and 1454 cm(-1) may be probably connected with zeolitically bonded water molecules located in the channels. Raman bands and shoulders at 1148, 1132, 1108, 1063, 1048, and 1015 cm(-1) and an infrared band and shoulders at 1131, 1097, 1049, and 1017 cm(-1) are assigned to the nu(3) PO43- triply degenerate antisymmetric stretching vibrations. A Raman band and a shoulder at 994 and 970 cm(-1), respectively, and an infrared band and a shoulder at 978 and 949 cm(-1), respectively, are assigned to the nu(1) PO43- symmetric stretching vibrations. Infrared shoulders at 873, 833, and 748 cm(-1) are assigned to libration modes of water molecules. Raman bands and shoulders at 670, 648, 631, 614, 600, 572, and 546 cm(-1) and infrared bands at 592 and 534 cm(-1) are assigned to the nu(4) (delta) PO(4)(3-)triply degenerate out-of-plane bending vibrations; weak band at 570 cm(-1) may coincide with the delta Fe-O bending vibration. Raman bands and shoulders at 453, 443, 419, and 400 cm(-1) are assigned to the nu(2) (delta) PO43- doubly degenerate in-plane bending vibrations. Raman bands at 385, 346, 324, 309, 275, 252, and 227 cm(-1) are assigned to the nu Fe-O stretching vibrations in FeO6 octahedra. Raman bands at 188, 158, 140, 112, 89, and 73 cm(-1) are assigned to lattice vibrations.

Priceite is a calcium borate mineral and occurs as white crystals in the monoclinic pyramidal crystal system. We have used a combination of Raman spectroscopy with complimentary infrared spectroscopy and scanning electron microscopy with Energy-dispersive X-ray Spectroscopy (EDS) to study the mineral priceite. Chemical analysis shows a pure phase consisting of B and Ca only. Raman bands at 956, 974, 991, and 1019 cm−1 are assigned to the BO stretching vibration of the B10O19 units. Raman bands at 1071, 1100, 1127, 1169, and 1211 cm−1 are attributed to the BOH in-plane bending modes. The intense infrared band at 805 cm−1 is assigned to the trigonal borate stretching modes. The Raman band at 674 cm−1 together with bands at 689, 697, 736, and 602 cm−1 are assigned to the trigonal and tetrahedral borate bending modes. Raman spectroscopy in the hydroxyl stretching region shows a series of bands with intense Raman band at 3555 cm−1 with a distinct shoulder at 3568 cm−1. Other bands in this spectral reg...

Raman spectra of two well-defined ferrimolybdite samples, Fe2(3+)(Mo6+O4)3·7-8H2O, from the Krupka deposit (northern Bohemia, Czech Republic) and Hůrky near Rakovník occurrence (central Bohemia, Czech Republic) were studied and tentatively interpreted. Observed bands were assigned to the stretching and bending vibrations of molybdate anions, Fe-O units and water molecules. Number of Raman and infrared bands assigned to (MoO4)(2-) units and water molecules proved that symmetrically (structurally) nonequivalent (MoO4)(2-) and H2O are present in the crystal structure of ferrimolybdite. Approximate O-H⋯O hydrogen bond lengths (2.80-2.73 Å) were inferred from the published infrared spectra.

The mineral kidwellite, a hydrated hydroxy phosphate of ferric iron and sodium of approximate formula NaFe93+(PO4)6(OH)11⋅3H2O, has been studied using a combination of electron microscopy with EDX and vibrational spectroscopic techniques. Raman spectroscopy identifies an intense band at 978 cm−1 and 1014 cm−1. These bands are attributed to the PO43− ν1 symmetric stretching mode. The ν3 antisymmetric stretching modes are observed by a large number of Raman bands. The series of Raman bands at 1034, 1050, 1063, 1082, 1129, 1144 and 1188 cm−1 are attributed to the ν3 antisymmetric stretching bands of the PO43− and HOPO32− units. The observation of these multiple Raman bands in the symmetric and antisymmetric stretching region gives credence to the concept that both phosphate and hydrogen phosphate units exist in the structure of kidwellite. The series of Raman bands at 557, 570, 588, 602, 631, 644 and 653 cm−1are assigned to the PO43− ν2 bending modes. The series of Raman bands at 405, 444, 453, 467, 490 and 500 cm−1 are attributed to the PO43− and HOPO32− ν4 bending modes. The spectrum is quite broad but Raman bands may be resolved at 3122, 3231, 3356, 3466 and 3580 cm−1. These bands are assigned to water stretching vibrational modes. The number and position of these bands suggests that water is in different molecular environments with differing hydrogen bond distances. Infrared bands at 3511 and 3359 cm−1 are ascribed to the OH stretching vibration of the OH units. Very broad bands at 3022 and 3299 cm−1 are attributed to the OH stretching vibrations of water. Vibrational spectroscopy offers insights into the molecular structure of the phosphate mineral kidwellite.

We have studied the boron containing mineral ezcurrite Na4B10O17·7H2O using electron microscopy and vibrational spectroscopy. Both tetrahedral and trigonal boron units are observed. The nominal resolution of the Raman spectrometer is of the order of 2 cm−1 and as such is sufficient enough to identify separate bands for the stretching bands of the two boron isotopes. The Raman band at 1037 cm−1 is assigned to BO stretching vibration. Raman bands at 1129, 1163, 1193 cm−1 are attributed to BO stretching vibration of the tetrahedral units. The Raman band at 947 cm−1 is attributed to the antisymmetric stretching modes of tetrahedral boron. The sharp Raman peak at 1037 cm−1 is from the 11-B component such a mode, then it should have a smaller 10-B satellite near (1.03) × (1037) = 1048 cm−1, and indeed a small peak at 1048 is observed. The broad Raman bands at 3186, 3329, 3431, 3509, 3547 and 3576 cm−1 are assigned to water stretching vibrations. Broad infrared bands at 3170, 3322, 3419, 3450, 3493, 3542, 3577 and 3597 cm−1 are also assigned to water stretching vibrations. Infrared bands at 1330, 1352, 1389, 1407, 1421 and 1457 cm−1 are assigned to the antisymmetric stretching vibrations of trigonal boron. The observation of so many bands suggests that there is considerable variation in the structure of ezcurrite. Infrared bands at 1634, 1646 and 1681 cm−1 are assigned to water bending modes. The number of water bending modes is in harmony with the number of water stretching vibrations.

The mineral beraunite from Boca Rica pegmatite in Minas Gerais with theoretical formula Fe(2+)Fe5(3+)(PO4)4(OH)5⋅4H2O has been studied using a combination of electron microscopy with EDX and vibrational spectroscopic techniques. Raman spectroscopy identifies an intense band at 990 cm(-1) and 1011 cm(-1). These bands are attributed to the PO4(3)(-) ν1 symmetric stretching mode. The ν3 antisymmetric stretching modes are observed by a large number of Raman bands. The Raman bands at 1034, 1051, 1058, 1069 and 1084 together with the Raman bands at 1098, 1116, 1133, 1155 and 1174 cm(-1) are assigned to the ν3 antisymmetric stretching vibrations of PO4(3-) and the HOPO3(2-) units. The observation of these multiple Raman bands in the symmetric and antisymmetric stretching region gives credence to the concept that both phosphate and hydrogen phosphate units exist in the structure of beraunite. The series of Raman bands at 567, 582, 601, 644, 661, 673, and 687 cm(-1) are assigned to the PO4(3-) ν2 bending modes. The series of Raman bands at 437, 468, 478, 491, 503 cm(-1) are attributed to the PO4(3-) and HOPO3(2-) ν4 bending modes. No Raman bands of beraunite which could be attributed to the hydroxyl stretching unit were observed. Infrared bands at 3511 and 3359 cm(-1) are ascribed to the OH stretching vibration of the OH units. Very broad bands at 3022 and 3299 cm(-1) are attributed to the OH stretching vibrations of water. Vibrational spectroscopy offers insights into the molecular structure of the phosphate mineral beraunite.

Raman spectroscopy complimented with infrared spectroscopy has been used to study the molecular structure of the mineral of plumbophyllite. The Raman spectrum is dominated by a very intense sharp peak at 1027 cm(-1), assigned to the SiO stretching vibrations of (SiO3)n units. A very intense Raman band at 643 cm(-1) is assigned to the bending mode of (SiO3)n units. Raman bands observed at 3215, 3443, 3470, 3494 and 3567 cm(-1) are assigned to water stretching vibrations. Multiple water stretching and bending modes are observed showing that there is much variation in hydrogen bonding between water and the silicate surfaces. Because of the close similarity in the structure of plumbophyllite and apophyllite, a comparison of the spectra with that of apophyllites is made. By using vibrational spectroscopy an assessment of the molecular structure of plumbophyllite has been made.

The structural characteristics of raw coal and hydrogen peroxide (H2O2)-oxidized coals were investigated using scanning electron microscopy, X-ray diffraction (XRD), Raman spectra, and Fourier transform infrared (FT-IR) spectroscopy. The results indicate that the derivative coals oxidized by H2O2 are improved noticeably in aromaticity and show an increase first and then a decrease up to the highest aromaticity at 24 h. The stacking layer number of crystalline carbon decreases and the aspect ratio (width versus stacking height) increases with an increase in oxidation time. The content of crystalline carbon shows the same change tendency as the aromaticity measured by XRD. The hydroxyl bands of oxidized coals become much stronger due to an increase in soluble fatty acids and alcohols as a result of the oxidation of the aromatic and aliphatic C-H bonds. In addition, the derivative coals display a decrease first and then an increase in the intensity of aliphatic C-H bond and present a diametrically opposite tendency in the aromatic C-H bonds with an increase in oxidation time. There is good agreement with the changes of aromaticity and crystalline carbon content as measured by XRD and Raman spectra. The particle size of oxidized coals (2O2-oxidized coals. This process can help us obtain superfine crystalline carbon materials similar to graphite in structure.

We have studied the hydrated hydroxyl silicate mineral inesite of formula Ca2(Mn,Fe)7Si10O28(OH)⋅5H2O using a combination of scanning electron microscopy with EDX and Raman and infrared spectroscopy. SEM analysis shows the mineral to be a pure monomineral with no impurities. Semiquantitative analysis shows a homogeneous phase, composed by Ca, Mn(2+), Si and P, with minor amounts of Mg and Fe. Raman spectrum shows well resolved component bands at 997, 1031, 1051, and 1067 cm(-1) attributed to a range of SiO symmetric stretching vibrations of [Si10O28] units. Infrared bands found at 896, 928, 959 and 985 cm(-1) are attributed to the OSiO antisymmetric stretching vibrations. An intense broad band at 653 cm(-1) with shoulder bands at 608, 631 and 684 cm(-1) are associated with the bending modes of the OSiO units of the 6- and 8-membered rings of the [Si10O28] units. The sharp band at 3642 cm(-1) with shoulder bands at 3612 and 3662 cm(-1) are assigned to the OH stretching vibrations of the hydroxyl units. The broad Raman band at 3420 cm(-1) with shoulder bands at 3362 and 3496 cm(-1) are assigned to the water stretching vibrations. The application of vibrational spectroscopy has enabled an assessment of the molecular structure of inesite to be undertaken.

Phosphohedyphane Ca2Pb3(PO4)3Cl is rare Ca and Pb phosphate mineral that belongs to the apatite supergroup. We have analysed phosphohedyphane using SEM with EDX, and Raman and infrared spectroscopy. The chemical analysis shows the presence of Pb, Ca, P and Cl and the chemical formula is expressed as Ca2Pb3(PO4)3Cl. The very sharp Raman band at 975 cm−1 is assigned to the PO 4 3 - ν1 symmetric stretching mode. Raman bands noted at 1073, 1188 and 1226 cm−1 are to the attributed to the PO 4 3 - ν3 antisymmetric stretching modes. The two Raman bands at 835 and 812 cm−1 assigned to the AsO 4 3 - ν1 symmetric stretching vibration and AsO 4 3 - ν3 antisymmetric stretching modes prove the substitution of As for P in the structure of phosphohedyphane. A series of bands at 557, 577 and 595 cm−1 are attributed to the ν4 out of plane bending modes of the PO4 units. The multiplicity of bands in the ν2, ν3 and ν4 spectral regions provides evidence for the loss of symmetry of the phosphate anion in the phosphohedyphane structure. Observed bands were assigned to the stretching and bending vibrations of phosphate tetrahedra. Some Raman bands attributable to OH stretching bands were observed, indicating the presence of water and/or OH units in the structure.

Vibrational spectroscopy has been used to study the rare earth mineral churchite of formula (REE)(PO4)⋅2H2O. The mineral contains a range of rare earth metals including yttrium depending on the locality. The Raman spectra of churchite-(REE) are characterized by an intense sharp band at 984 cm−1 assigned to the ν1 ( PO 4 3 - ) symmetric stretching mode. A lower intensity band observed at around 1067 cm−1 is attributed to the ν3 ( PO 4 3 - ) antisymmetric stretching mode. The ( PO 4 3 - ) bending modes are observed at 497 cm−1 (ν2) and 565 cm−1(ν4). Raman bands at 649 and 681 cm−1 are assigned to water librational modes. Vibrational spectroscopy enables aspects of the structure of churchite to be ascertained.

The mineral glauberite is one of many minerals formed in evaporite deposits. The mineral glauberite has been studied using a combination of scanning electron microscopy with energy dispersive X-ray analysis and infrared and Raman spectroscopy. Qualitative chemical analysis shows a homogeneous phase, composed by sulfur, calcium, and sodium. Glauberite is characterized by a very intense Raman band at 1002 cm−1 with Raman bands observed at 1107, 1141, 1156, and 1169 cm−1 attributed to the sulfate ν3 antisymmetric stretching vibration. Raman bands at 619, 636, 645, and 651 cm−1 are assigned to the ν4 sulfate bending modes. Raman bands at 454, 472, and 486 cm−1 are ascribed to the ν2 sulfate bending modes. The observation of multiple bands is attributed to the loss of symmetry of the sulfate anion. Raman spectroscopy is superior to infrared spectroscopy for the determination of glauberite.

Na-dodecylbenzenesulfate (SDBS), a natural anionic surfactant, has been successfully intercalated into a Ca based LDH host structure during tricalcium aluminate hydration in the presence of SDBS aqueous solution (CaAl-SDBS-LDH). The resulting product was characterized by powder X-ray diffraction (XRD), mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy technique, thermal analysis (TG-DTA) and scan electron microscopy (SEM). The XRD results revealed that the interlayer distance of resultant product was expanded to 30.46 Å. MIR combined with NIR spectra offered an effective method to illustrate this intercalation. The NIR spectra (6000-5500 cm(-1)) displayed prominent bands to expound SDBS intercalated into hydration product of C3A. And the bands around 8300 cm(-1) were assigned to the second overtone of the first fundamental of CH stretching vibrations of SDBS. In addition, thermal analysis showed that the dehydration and dehydroxylation took place at ca. 220 °C and 348 °C, respectively. The SEM results appeared approximately hexagonal platy crystallites morphology for CaAl-SDBS-LDH, with particle size smaller and thinner.

Raman and infrared spectra of two well-defined fluellite samples, Al2(PO4)F2(OH)·7H2O, from the Krásno near Horní Slavkov (Czech Republic) and Kapunda, South Australia (Australia) were studied and tentatively interpreted. Observed bands were assigned to the stretching and bending vibrations of phosphate tetrahedra, aluminum oxide/hydroxide/fluoride octahedra, water molecules and hydroxyl ions. Approximate O-H⋅⋅⋅O hydrogen bond lengths were inferred from the Raman and infrared spectra.

There are a large number of boron-containing minerals, of which vonsenite is one. Some discussion about the molecular structure of vonsenite exists in the literature. Whether water is involved in the structure is ill-determined. The molecular structure of vonsenite has been assessed by the combination of Raman and infrared spectroscopy. The Raman spectrum is characterized by two intense broad bands at 997 and 1059 cm−1 assigned to the BO stretching vibrational mode. A series of Raman bands in the 1200–1500 cm−1 spectral range are attributed to BO antisymmetric stretching modes and in-plane bending modes. The infrared spectrum shows complexity in this spectral range. No Raman spectrum of water in the OH stretching region could be obtained. The infrared spectrum shows a series of overlapping bands with bands identified at 3037, 3245, 3443, 3556, and 3614 cm−1. It is important to understand the structure of vonsenite in order to form nanomaterials based on its structure. Vibrational spectroscopy ena...

Burkeite formation is important in saline evaporites and in pipe scales. Burkeite is an anhydrous sulphate-carbonate with an apparent variable anion ratio. Such a formula with two oxyanions lends itself to vibrational spectroscopy. Two symmetric sulphate stretching modes are observed, indicating at least at the molecular level the nonequivalence of the sulphate ions in the burkeite structure. The strong Raman band at 1065 cm−1 is assigned to the carbonate symmetric stretching vibration. The series of Raman bands at 622, 635, 645, and 704 cm−1 are assigned to the ν4 sulphate bending modes. The observation of multiple bands supports the concept of a reduction in symmetry of the sulphate anion from T d to C 3v or even C 2v.

The mineral barahonaite is in all probability a member of the smolianinovite group. The mineral is an arsenate mineral formed as a secondary mineral in the oxidized zone of sulphide deposits. We have studied the barahonaite mineral using a combination of Raman and infrared spectroscopy. The mineral is characterized by a series of Raman bands at 863 cm−1 with low wavenumber shoulders at 802 and 828 cm−1. These bands are assigned to the arsenate and hydrogen arsenate stretching vibrations. The infrared spectrum shows a broad spectral profile. Two Raman bands at 506 and 529 cm−1 are assigned to the triply degenerate arsenate bending vibration (F 2, ν4), and the Raman bands at 325, 360, and 399 cm−1 are attributed to the arsenate ν2 bending vibration. Raman and infrared bands in the 2500–3800 cm−1 spectral range are assigned to water and hydroxyl stretching vibrations. The application of Raman spectroscopy to study the structure of barahonaite is better than infrared spectroscopy, probably because of...

Vibrational spectroscopy enables subtle details of the molecular structure of whiteite to be determined. Single crystals of a pure phase from a Brazilian pegmatite were used. The infrared and Raman spectroscopy were applied to compare the molecular structure of whiteite with that of other phosphate minerals. The Raman spectrum of whiteite shows an intense band at 972 cm(-1) assigned to the ν1PO4(3-) symmetric stretching vibrations. The low intensity Raman bands at 1076 and 1173 cm(-1) are assigned to the ν3PO4(3-) antisymmetric stretching modes. The Raman bands at 1266, 1334 and 1368 cm(-1) are assigned to AlOH deformation modes. The infrared band at 967 cm(-1) is ascribed to the PO4(3-)ν1 symmetric stretching vibrational mode. The infrared bands at 1024, 1072, 1089 and 1126 cm(-1) are attributed to the PO4(3-)ν3 antisymmetric stretching vibrations. Raman bands at 553, 571 and 586 cm(-1) are assigned to the ν4 out of plane bending modes of the PO4(3-) unit. Raman bands at 432, 457, 479 and 500 cm(-1) are attributed to the ν2 PO4 and H2PO4 bending modes. In the 2600 to 3800 cm(-1) spectral range, Raman bands for whiteite are found 3426, 3496 and 3552 cm(-1) are assigned to AlOH stretching vibrations. Broad infrared bands are also found at 3186 cm(-1). Raman bands at 2939 and 3220 cm(-1) are assigned to water stretching vibrations. Raman spectroscopy complimented with infrared spectroscopy has enabled aspects of the structure of whiteite to be ascertained and compared with that of other phosphate minerals.

Gilalite is a copper silicate mineral with a general formula of Cu5Si6O17 · 7H2O. The mineral is often found in association with another copper silicate mineral, apachite, Cu9Si10O29 · 11H2O. Raman and infrared spectroscopy have been used to characterize the molecular structure of gilalite. The structure of the mineral shows disorder, which is reflected in the difficulty of obtaining quality Raman spectra. Raman spectroscopy clearly shows the absence of OH units in the gilalite structure. Intense Raman bands are observed at 1066, 1083, and 1160 cm−1. The Raman band at 853 cm−1 is assigned to the –SiO3 symmetrical stretching vibration and the low-intensity Raman bands at 914, 953, and 964 cm−1 may be ascribed to the antisymmetric SiO stretching vibrations. An intense Raman band at 673 cm−1 with a shoulder at 663 cm−1 is assigned to the ν4 Si-O-Si bending modes. Raman spectroscopy complemented with infrared spectroscopy enabled a better understanding of the molecular structure of gilalite.

Maxwellite NaFe(3+)(AsO4)F is an arsenate mineral containing fluoride and forms a continuous series with tilasite CaMg(AsO4)F. Both maxwellite and tilasite form a continuous series with durangite NaAl(3+)(AsO4)F. We have used the combination of scanning electron microscopy with EDS and vibrational spectroscopy to chemically analyse the mineral maxwellite and make an assessment of the molecular structure. Chemical analysis shows that maxwellite is composed of Fe, Na and Ca with minor amounts of Mn and Al. Raman bands for tilasite at 851 and 831cm(-1) are assigned to the Raman active ν1 symmetric stretching vibration (A1) and the Raman active triply degenerate ν3 antisymmetric stretching vibration (F2). The Raman band of maxwellite at 871cm(-1) is assigned to the ν1 symmetric stretching vibration and the Raman band at 812cm(-1) is assigned to the ν3 antisymmetric stretching vibration. The intense Raman band of tilasite at 467cm(-1) is assigned to the Raman active triply degenerate ν4 bending vibration (F2). Raman band at 331cm(-1) for tilasite is assigned to the Raman active doubly degenerate ν2 symmetric bending vibration (E). Both Raman and infrared spectroscopy do not identify any bands in the hydroxyl stretching region as is expected.

Gaudefroyite Ca 4 Mn 3 - x 3 + ( BO 3 ) 3 ( CO 3 ) ( O,OH ) 3 is an unusual mineral containing both borate and carbonate groups and is found in the oxidation zones of manganese minerals, and it is black in color. Vibrational spectroscopy has been used to explore the molecular structure of gaudefroyite. Gaudefroyite crystals are short dipyramidal or prismatic with prominent pyramidal terminations, to 5 cm. Two very sharp Raman bands at 927 and 1076 cm−1 are assigned to trigonal borate and carbonate respectively. Broad Raman bands at 1194, 1219 and 1281 cm−1 are attributed to BOH in-plane bending modes. Raman bands at 649 and 670 cm−1 are assigned to the bending modes of trigonal and tetrahedral boron. Infrared spectroscopy supports these band assignments. Raman bands in the OH stretching region are of a low intensity. The combination of Raman and infrared spectroscopy enables the assessment of the molecular structure of gaudefroyite to be made.