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2. The nuclear research infrastructures open access scheme of the Joint Research Centre (JRC) at the European Commission – Contributions to education, training, mobility and scientific excellence

Author

Seibert, Alice, Aldave de las Heras, Laura, Boboridis, Konstantinos, Colineau, Eric, Eloirdi, Rachel, Fontana, Cristiano L., Hult, Mikael, Jenet, Andreas, Michailidou, Eirini, Nilsson, Karl-Fredrik, Paradela, Carlos, Raison, Philippe, Schillebeeckx, Peter, and Taucer, Fabio

Published
2024
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4. The Linear and Non-linear Magnetic Response of a Tri-Uranium Single Molecule Magnet

Author

Shivaram, B. S., Colineau, Eric, Griveau, Jean-Christophe, Kumar, P., and Celli, V.

Subjects
Condensed Matter - Other Condensed Matter, Physics - Atomic Physics
Abstract

We report here low temperature magnetization isotherms for the single molecule magnet, $(UO_2-L)_3$. By analyzing the low temperature magnetization in terms of $M= X_1*B + X_3*B^3$ we extract the linear susceptibility $X_1$ and the leading order nonlinear susceptibility $X_3$. We find that $X_1$ exhibits a peak at a temperature of $T_1=10.4 K$ with $Chi_3$ also exhibiting a peak but at a reduced temperature $T3 = 5 K$. At the lowest temperatures the isotherms exhibit a critical field $B_c = 11.5 T$ marked by a clear point of inflection. A minimal Hamiltonian employing S=1 (pseudo) spins with only a single energy scale (successfully used to model the behavior of bulk f-electron metamagnets) is shown to provide a good description of the observed linear scaling between $T_1, T_3$ and $B_c$. We further show that a Heisenberg Hamiltonian previously employed by Carretta et al. (2013 J. Phys.Cond. Matt. 25 486001) to model this single molecule magnet gives formulas for the angle averaged susceptibilities (in the Ising limit) very similar to those of the minimal model.

Published
2017
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5. A terminal neptunium(V)–mono(oxo) complex

Author

Dutkiewicz, Michał S., Goodwin, Conrad A. P., Perfetti, Mauro, Gaunt, Andrew J., Griveau, Jean-Christophe, Colineau, Eric, Kovács, Attila, Wooles, Ashley J., Caciuffo, Roberto, Walter, Olaf, and Liddle, Stephen T.

Published
2022
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6. Elucidation of the Off-Center Displaced Mo in Octahedral Coordination in Ba2MoO5

Author

van Hattem, Andries, de Geus, Laurent, Sacristán, Ana, Dankelman, Robert, Couweleers, Sebastian, Hennig, Christoph, Griveau, Jean-Christophe, Colineau, Eric, Dardenne, Kathy, Rothe, Jörg, Pruessmann, Tim, Konings, Rudy J. M., and Smith, Anna L.

Abstract

The detailed crystal structure as well as the heat capacity at low temperature and standard entropy of Ba2MoO5are reported for the first time. High-resolution X-ray and neutron diffraction were employed to reveal the structural features of this compound. Ba2MoO5has a six-coordinated Mo and a strongly negative excess volume with respect to the binary oxides. X-ray absorption near edge structure (XANES) spectroscopy at the Mo K-edge shows Mo to be in the oxidation state 6+. The pre-edge peak in the XANES spectrum indicates a distorted octahedral environment, in line with the results from diffraction studies and FDMNES calculations. The standard entropy and heat capacity of Ba2MoO5at 298.15 K, determined with a thermal-relaxation technique, are calculated to be respectively 223.2 ± 7 and 184.7 ± 5 J·K–1·mol–1. The obtained thermodynamic properties are discussed in the context of the literature reports on molybdate compounds.

Published
2025
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7. Axially Symmetric U−O−Ln‐ and U−O−U‐Containing Molecules from the Control of Uranyl Reduction with Simple f‐Block Halides

Author

Arnold, Polly L, Cowie, Bradley E, Suvova, Markéta, Zegke, Markus, Magnani, Nicola, Colineau, Eric, Griveau, Jean‐Christophe, Caciuffo, Roberto, and Love, Jason B

Subjects
Inorganic Chemistry, Chemical Sciences, f-block chemistry, lanthanides, molecular magnetism, reduction, uranyl complexes, Organic Chemistry, Chemical sciences
Abstract

The reduction of UVI uranyl halides or amides with simple LnII or UIII salts forms highly symmetric, linear, oxo-bridged trinuclear UV /LnIII /UV , LnIII /UIV /LnIII , and UIV /UIV /UIV complexes or linear LnIII /UV polymers depending on the stoichiometry and solvent. The reactions can be tuned to give the products of one- or two-electron uranyl reduction. The reactivity and magnetism of these compounds are discussed in the context of using a series of strongly oxo-coupled homo- and heterometallic poly(f-block) chains to better understand fundamental electronic structure in the f-block.

Published
2017

8. Axially Symmetric U-O-Ln- and U-O-U-Containing Molecules from the Control of Uranyl Reduction with Simple f-Block Halides.

Author

Arnold, Polly L, Cowie, Bradley E, Suvova, Markéta, Zegke, Markus, Magnani, Nicola, Colineau, Eric, Griveau, Jean-Christophe, Caciuffo, Roberto, and Love, Jason B

Subjects
f-block chemistry, lanthanides, molecular magnetism, reduction, uranyl complexes, Organic Chemistry, Chemical Sciences
Abstract

The reduction of UVI uranyl halides or amides with simple LnII or UIII salts forms highly symmetric, linear, oxo-bridged trinuclear UV /LnIII /UV , LnIII /UIV /LnIII , and UIV /UIV /UIV complexes or linear LnIII /UV polymers depending on the stoichiometry and solvent. The reactions can be tuned to give the products of one- or two-electron uranyl reduction. The reactivity and magnetism of these compounds are discussed in the context of using a series of strongly oxo-coupled homo- and heterometallic poly(f-block) chains to better understand fundamental electronic structure in the f-block.

Published
2017

9. A New Look at the Structural and Magnetic Properties of Potassium Neptunate K2NpO4 Combining XRD, XANES Spectroscopy, and Low-Temperature Heat Capacity

Author

Smith, Anna L, Colineau, Eric, Griveau, Jean-Christophe, Popa, Karin, Kauric, Guilhem, Martin, Philippe, Scheinost, Andreas C, Cheetham, Anthony K, and Konings, Rudy JM

Subjects
Inorganic Chemistry, Physical Chemistry (incl. Structural), Other Chemical Sciences, Inorganic & Nuclear Chemistry
Abstract

The physicochemical properties of the potassium neptunate K2NpO4 have been investigated in this work using X-ray diffraction, X-ray absorption near edge structure (XANES) spectroscopy at the Np-L3 edge, and low-temperature heat capacity measurements. A Rietveld refinement of the crystal structure is reported for the first time. The Np(VI) valence state has been confirmed by the XANES data, and the absorption edge threshold of the XANES spectrum has been correlated to the Mössbauer isomer shift value reported in the literature. The standard entropy and heat capacity of K2NpO4 have been derived at 298.15 K from the low-temperature heat capacity data. The latter suggest the existence of a magnetic ordering transition around 25.9 K, most probably of the ferromagnetic type.

Published
2017

10. Unusual Behaviour of (Np,Pu)B2C

Author

Klimczuk, Tomasz, Boulet, Pascal, Griveau, Jean-Christophe, Colineau, Eric, Bauer, Ernst, Falmbigl, Matthias, Rogl, Peter, and Wastin, Franck

Subjects
Condensed Matter - Strongly Correlated Electrons
Abstract

Two transuranium metal boron carbides, NpB2C and PuB2C have been synthesized by argon arc melting. The crystal structures of the {Np,Pu}B2C compounds were determined from single crystal X-ray data to be isotypic with the ThB2C-type (space group R3m, a = 0.6532(2) nm; c = 1.0769(3) nm for NpB2C and a = 0.6509(2) nm; c = 1.0818(3) nm for PuB2C; Z=9). Physical properties have been derived from polycrystalline bulk material in the temperature range from 2 K to 300 K and in magnetic fields up to 9 T. Magnetic susceptibility and heat capacity data indicate the occurrence of antiferromagnetic ordering for NpB2C with a Neel temperature T_N = 68 K. PuB2C is a Pauli paramagnet most likely due to a strong hybridisation of s(p,d) electrons with the Pu-5f states. A pseudo-gap, as concluded from the Sommerfeld value and the electronic transport, is thought to be a consequence of the hybridisation. The magnetic behaviour of {Np,Pu}B2C is consistent with the criterion of Hill.

Published
2015
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11. Low-temperature heat capacity and magnetism in (U1−yLny)O2 and (U1−yAmy)O2 (y = 0.01 − 0.05) solid solutions: Effects of substitution and self-irradiation

Author

Griveau, Jean-Christophe, Vigier, Jean-François, Popa, Karin, Vălu, Sorin-Octavian, Colineau, Eric, and Konings, Rudy J. M.

Subjects
HEAT capacity, SOLID solutions, MAGNETISM, MAGNETIZATION measurement, POINT defects, SUPERCONDUCTING quantum interference devices, MAGNETIC entropy
Abstract

The low-temperature heat capacity of lanthanide-doped (La, Nd) and americium-doped UO 2 samples was measured by calorimetry. The results showed a strong effect on the antiferromagnetic C p anomaly as a result of crystal lattice substitution, defects resulting from self-irradiation, and electron interaction. It was found that the substitution of trivalent ions ( La 3 + , Nd 3 + , Am 3 + ) leads to a split of the λ peak, for which we hypothesize that the clustering of the trivalent ions with the charge compensator pentavalent U 5 + can play a role. The overall behavior is confirmed by magnetization measurements using SQUID. The observed differences between La 3 + , Nd 3 + , and Am 3 + are attributed to the f – f exchange interaction. 241 Am decay causes in addition self-irradiation effects (point defects), and reduces Néel temperature, peak intensity, and magnetic entropy as a function of decay (accumulated α dose). The observed effects are similar to 238 Pu-doped UO 2 , the slight differences being attributed to a higher degree of disorder in the Am material. [ABSTRACT FROM AUTHOR]

Published
2022
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15. Low-Temperature Heat Capacity of CsPbI3, Cs4PbI6, and Cs3Bi2I9

Author

van Hattem, A. (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Lefering, A.J.E. (author), Konings, R. (author), Smith, A.L. (author), van Hattem, A. (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Lefering, A.J.E. (author), Konings, R. (author), and Smith, A.L. (author)

Abstract

The heat capacities of CsPbI3, Cs4PbI6, and Cs3Bi2I9 were studied using low-temperature thermal relaxation calorimetry in the temperature range of 1.9-300 K. The three compounds are insulators, with no electronic contribution to the heat capacity. None of them show detectable anomalies in the studied temperature window. Thermodynamic properties at standard conditions are derived. Previously reported results on Cs3Bi2I9 are not fully consistent with the present findings. Moreover, the magnetic susceptibilities of the three title compounds were measured., RST/Reactor Physics and Nuclear Materials, RST/Fundamental Aspects of Materials and Energy

Published
2023
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16. Heat capacity of Bi2UO6

Author

Popa, Karin, Beneš, Ondrej, Raison, Philippe E., Griveau, Jean-Christophe, Pöml, Philipp, Colineau, Eric, Konings, Rudy J.M., and Somers, Joseph

Published
2015
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28. Temperature dependence of $^1H$ paramagnetic chemical shifts in actinide complexes, beyond Bleaney's theory: The An$^{VI}$O$_2^{2+}$ – Dipicolinic AcidcComplexes (An=Np, Pu) as an Example

Author

Autillo, Matthieu, Islam, Md. Ashraful, Héron, Julie, Guérin, Laetitia, Acher, Eléonor, Tamain, Christelle, Illy, Marie-Claire, Moisy, Philippe, Colineau, Eric, Griveau, Jean-Christophe, Berthon, Claude, Bolvin, Hélène, Commission des méthodes d'analyse du CEA (CETAMA), Département de recherche sur les procédés pour la mine et le recyclage du combustible (DMRC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Systèmes étendus et magnétisme (LCPQ) (SEM), Laboratoire de Chimie et Physique Quantiques (LCPQ), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Hylleraas Centre for Quantum Molecular Sciences (Hylleraas), Department of Chemistry [Oslo], Faculty of Mathematics and Natural Sciences [Oslo], University of Oslo (UiO)-University of Oslo (UiO)-Faculty of Mathematics and Natural Sciences [Oslo], University of Oslo (UiO)-University of Oslo (UiO), European Commission - Joint Research Centre [Karlsruhe] (JRC), ANR-17-CE06-0010,ACTIpNMR,déplacements de RMN paramagnétiques pour les actinides : au délà du modèle des lanthanides(2017), Laboratoire de Chimie et Physique Quantiques Laboratoire (LCPQ), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), and Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.COOR]Chemical Sciences/Coordination chemistry
Abstract

International audience; Actinide +VI complexes (An$^{VI}$ = U$^{VI}$, Np$^{VI}$ and Pu$^{VI}$) with dipicolinic acid derivatives were synthesized and characterized bypowder XRD, SQUID magnetometry and NMR spectroscopy. In addition, Np$^{VI}$ and Pu$^{VI}$ complexes were described by first principles CAS based and two-component spin-restricted DFT methods. The analysis of the $^1$H paramagnetic NMR chemical shifts for all protons of the ligands according to the X-rays structures shows that the Fermi contact contribution is negligible in agreement with spin density determined by unrestricted DFT. The magnetic susceptibility tensor is determined by combining SQUID, pNMR shifts and Evans’ method. The SO-RASPT2 results fit well the experimental magnetic susceptibility and pNMR chemical shifts. The role of the counterions in the solid phase is pointed out; their presence impacts the magneticproperties of the Np$^{VI}$ complex. The temperature dependence of the pNMR chemical shifts has a strong 1/$T$ contribution, contrarily to Bleaney’s theory for lanthanide complexes. The fitting of the temperature dependence of the pNMR chemical shifts and SQUID magnetic susceptibility by a two-Kramers-doublet model for the Np$^{VI}$ complex and a non-Kramers-doublet model for the Pu$^{VI}$ complex allows for the experimental evaluation of energy gaps and magnetic moments of the paramagnetic center

Published
2021
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30. Thermodynamic properties of CaTh[(P[O.sub.4).sub.2] synthetic cheralite

Author

Popa, Karin, Shvareva, Tatiana, Mazeina, Lena, Colineau, Eric, Wastin, Franck, Konings, Rudy J.M., and Navrotsky, Alexandra

Subjects
Phosphate minerals -- Thermal properties, Phosphate minerals -- Environmental aspects, Phosphate rock -- Thermal properties, Phosphate rock -- Environmental aspects, Artificial minerals -- Thermal properties, Artificial minerals -- Environmental aspects, Earth sciences
Abstract

The mineral cheralite [CaTh[(P[O.sub.4]).sub.2]] allows for the incorporation of tetravalent actinides in monazite-based crystalline phases. Experimental determination of its thermodynamic properties is crucial for defining its stability and subsequent long-term ability to immobilize radionuclides. Low-temperature heat capacity from 0.5 to 300 K, enthalpy increments from 485 to 1565 K, and the enthalpy of formation of cheralite from the oxides were measured and reported on for the first time. At 298.15 K, S[degrees] : (201.6 [+ or -] 2.6) J/(K x mol), which includes the configurational entropy of Ca and Th mixing, [DELTA][H.sup.ox.sub.f] = -(506.4 [+ or -] 9.5) M/mol, [DELTA][H.sup.el.sub.f] = -(3872.8 [+ or -] 10.2) kJ/mol, [DELTA][G.sup.ox.sub.f] = -(501.6 [+ or -] 9.6) M/mol, and [DELTA][G.sup.el.sub.f] = -(3635.5 [+ or -] 10.2) kJ/mol. In aqueous environments, cheralite is able to form from whitlockite or apatite and thorianite. Under anhydrous conditions, cheralite can form by solid-state reaction only if the resultant product includes very stable Ca salts instead of CaO. Keywords: Cheralite, actinide phosphates, thermodynamic properties, nuclear waste

Published
2008

32. Experimental and Computational Exploration of the NaF-ThF4Fuel System: Structure and Thermochemistry

Author

Schreuder, Maarten B.J.W. (author), Ocadiz flores, J.A. (author), Gheribi, Aimen E. (author), Beneš, Ondrej (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author), Smith, A.L. (author), Schreuder, Maarten B.J.W. (author), Ocadiz flores, J.A. (author), Gheribi, Aimen E. (author), Beneš, Ondrej (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Konings, R. (author), and Smith, A.L. (author)

Abstract

The structural, thermochemical, and thermophysical properties of the NaF-ThF4 fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal expansion, mixing enthalpy, heat capacity, and distribution of [ThFn]m- complexes in the (Na,Th)Fx melt over the full concentration range at various temperatures. The phase equilibria in the 10-50 mol % ThF4 and 85-95 mol % ThF4 regions of the NaF-ThF4 phase diagram were measured using differential scanning calorimetry, as were the mixing enthalpies at 1266 K of (NaF/ThF4) = (0.8:0.2), (0.7:0.3) mixtures. Furthermore, the β-Na2ThF6 and NaTh2F9 compounds were synthesized and subsequently analyzed with the use of X-ray diffraction. The heat capacities of both compounds were measured in the temperature ranges (2-271 K) and (2-294 K), respectively, by thermal relaxation calorimetry. Finally, a CALPHAD model coupling the structural and thermodynamic data was developed using both EMD and experimental data as input and a quasichemical formalism in the quadruplet approximation. Here, 7- and 8-coordinated Th4+ cations were introduced on the cationic sublattice alongside a 13-coordinated dimeric species to reproduce the chemical speciation, as calculated by EMD simulations and to provide a physical description of the melt., RST/Reactor Physics and Nuclear Materials

Published
2021
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35. Temperature Dependence of 1 H Paramagnetic Chemical Shifts in Actinide Complexes, Beyond Bleaney's Theory: The An VI O 2 2+ –Dipicolinic Acid Complexes (An=Np, Pu) as an Example

Author

Autillo, Matthieu, primary, Islam, Md. Ashraful, additional, Héron, Julie, additional, Guérin, Laetitia, additional, Acher, Eleonor, additional, Tamain, Christelle, additional, Illy, Marie‐Claire, additional, Moisy, Philippe, additional, Colineau, Eric, additional, Griveau, Jean‐Christophe, additional, Berthon, Claude, additional, and Bolvin, Hélène, additional

Published
2021
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38. Tris‐{hydridotris(1‐pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour

Author

Apostolidis, Christos, primary, Kovács, Attila, additional, Walter, Olaf, additional, Colineau, Eric, additional, Griveau, Jean‐Christophe, additional, Morgenstern, Alfred, additional, Rebizant, Jean, additional, Caciuffo, Roberto, additional, Panak, Petra J., additional, Rabung, Thomas, additional, Schimmelpfennig, Bernd, additional, and Perfetti, Mauro, additional

Published
2020
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43. Local structure and magnetism of LaxEu1−xPO4 solid solutions

Author

Martel, Laura, Rakhmatullin, Aydar, Baldoví, José J., Perfetti, Mauro, Popa, Karin, Deschamps, Michael, Gouder, Thomas, Colineau, Eric, Kovács, Attila, and Griveau, Jean-Christophe

Abstract

By combining high spinning speed (60 kHz) and low-field (4.7 T) 31P solid-state NMR with magnetic susceptibility measurements, we experimentally characterized a series of solid solutions belonging to the LaxEu1−xPO4 (0≤x≤1) series. Analyses of the magnetic susceptibility data were carried out using the free ion model and crystal field theory calculations allowing to extract the electronic structure. The paramagnetic shifts of the P sites having one Eu3+ cation in their surrounding were predicted by combining the determined crystal field and energy level values with density functional theory (DFT) calculations. For the La0.9Eu0.1PO4 sample, these theoretical shifts gave a very good overall trend allowing the unambiguous attribution of each P site. This study paves the way for the future analysis of both magnetic susceptibility and NMR data for a broad range of materials containing paramagnetic rare-earth cations.

Published
2019
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44. Local structure and magnetism of L a x E u 1 − x P O 4 solid solutions

Author

Martel, Laura, Rakhmatullin, Aydar, Baldoví, José J., Perfetti, Mauro, Popa, Karin, Deschamps, Michael, Gouder, Thomas, Colineau, Eric, Kovács, Attila, Griveau, Jean-Christophe, JRC Institute for Transuranium Elements [Karlsruhe] (ITU ), European Commission - Joint Research Centre [Karlsruhe] (JRC), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Université d'Orléans (UO), Max Planck Institute for the Structure and Dynamics of Matter (MPSD), and IT University of Copenhagen

Subjects
[CHIM.MATE]Chemical Sciences/Material chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2019
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45. Report of the Double-Molybdate Phase Cs2Ba(MoO4)2 with a Palmierite Structure and Its Thermodynamic Characterization

Author

Smith, A.L. (author), de Zoete, Nathan (author), Rutten, Maikel (author), van Eijck, L. (author), Griveau, Jean Christophe (author), Colineau, Eric (author), Smith, A.L. (author), de Zoete, Nathan (author), Rutten, Maikel (author), van Eijck, L. (author), Griveau, Jean Christophe (author), and Colineau, Eric (author)

Abstract

The existence of a novel double-molybdate phase with a palmierite-type structure, Cs2Ba(MoO4)2, is revealed in this work, and its structural properties at room temperature have been characterized in detail using X-ray and neutron diffraction measurements. In addition, its thermal stability and thermal expansion are investigated in the temperature range 298-673 K using high-temperature X-ray diffraction, leading to the volumetric thermal expansion coefficient αV ≈ 43.0 × 10-6 K-1. The compound's standard enthalpy of formation at 298.15 K has been obtained using solution calorimetry, which yielded ΔfHm°(Cs2Ba(MoO4)2, cr, 298.15 K) = -3066.6 ± 3.1 kJ· mol-1, and its standard entropy at 298.15 K has been derived from low-temperature (2.1-294.3 K) thermal-relaxation calorimetry as Sm°(Cs2Ba(MoO4)2, cr, 298.15 K) = 381.2 ± 11.8 J K-1 mol-1., RST/Reactor Physics and Nuclear Materials, RST/Neutron and Positron Methods in Materials

Published
2020
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46. Tris‐{hydridotris(1‐pyrazolyl)borato}actinide Complexes: Synthesis, Spectroscopy, Crystal Structure, Bonding Properties and Magnetic Behaviour

Author

Apostolidis, Christos, Kovács, Attila, Walter, Olaf, Colineau, Eric, Griveau, Jean‐christophe, Morgenstern, Alfred, Rebizant, Jean, Caciuffo, Roberto, Panak, Petra J., Rabung, Thomas, Schimmelpfennig, Bernd, Perfetti, Mauro, Apostolidis, Christos, Kovács, Attila, Walter, Olaf, Colineau, Eric, Griveau, Jean‐christophe, Morgenstern, Alfred, Rebizant, Jean, Caciuffo, Roberto, Panak, Petra J., Rabung, Thomas, Schimmelpfennig, Bernd, and Perfetti, Mauro

Published
2020

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