Search

Goldschmidtite is a new perovskite-group mineral (IMA No. 2018-034) with the ideal formula (K,REE,Sr)(Nb,Cr)O3. A single grain of goldschmidtite with a maximum dimension of ∼100 μm was found as an inclusion in a diamond from the Koffiefontein pipe in South Africa. In addition to the dark green and opaque goldschmidtite, the diamond contained a Cr-rich augite (websteritic paragenesis) and an intergrowth of chromite, Mg-silicate, and unidentified K-Sr-REE-Nb-oxide. Geothermobarometry of the augite indicates that the depth of formation was ∼170 km. The chemical composition of gold-schmidtite determined by electron microprobe analysis (n = 11, WDS, wt%) is: Nb2O5 44.82, TiO2 0.44, ThO2 0.10, Al2O3 0.35, Cr2O3 7.07, La2O3 11.85, Ce2O3 6.18, Fe2O3 1.96, MgO 0.70, CaO 0.04, SrO 6.67, BaO 6.82, K2O 11.53, total 98.53. The empirical formula (expressed to two decimal places) is (K0.50La0.15Sr0.13Ba0.09Ce0.08)Σ0.95(Nb0.70Cr0.19Fe0.05Al0.01Mg0.04Ti0.01)Σ1.00O3. Goldschmidtite is cubic, space group Pm3m, with unit-cell parameters: a = 3.9876(1) Å, V = 63.404(6) Å3, Z = 1, resulting in a calculated density of 5.32(3) g/cm3. Goldschmidtite is the K-analog of isolueshite, (Na,La)NbO3. Raman spectra of goldschmidtite exhibit many second-order broad bands at 100 to 700 cm–1 as well as a pronounced peak at 815 cm–1, which is possibly a result of local ordering of Nb and Cr at the B site. The name goldschmidtite is in honor of the eminent geochemist Victor Moritz Goldschmidt (1888–1947), who formalized perovskite crystal chemistry and identified KNbO3 as a perovskite-structured compound. [ABSTRACT FROM AUTHOR]

The uranyl mineral swamboite has been redefined to swamboite-(Nd) and its structure has been solved and refined as a commensurate structure in sixdimensional superspace. The structure is monoclinic, superspace group P21/m(a1, b1, g1)00(-a1, b1, g1)00 (a2,0,g2)0s, cell parameters a = 6.6560(3), b = 6.9881(5), c = 8.8059(6), c = 11.3361(16) Å, ß = 102.591(5)°, modulation wave-vectors q1 = 1/3 1/3 0; q2 = -1/3 1/3 0; q3 = 1/2 0 1/2. The structure was refined from 8717 reflections to a final R = 0.0610. The model includes modulation both of atomic positions and displacement parameters, as well as occupancy waves. The structure is based upon uranyl-silicate sheets of uranophane topology alternating with an interlayer of partly occupied Nd3+ sites and H2O molecules. The strong (3 + 3) dimensional modulation of the structure originates from the distribution of the Nd-dominated sites and further accommodation of the suitable geometry within the sheets and charge distribution within the structure. The separation distances between the corresponding occupied Nd sites are rationals of the super-cell vectors corresponding to the modulation vectors of the structure. The case of swamboite-(Nd) is the first example of a modulated structure within the oxysalts of U6+. [ABSTRACT FROM AUTHOR]

The crystal structures of synthetic hallimondite and synthetic parsonsite have been refined by full-matrix least-squares techniques to agreement indices (hallimondite, parsonsite) wR2 of 5.5, and 7.6% for all data, and R1 of 2.7 and 3.4%, calculated for 3391 and 3181 unique observed reflections (¦Fo¦ ≥ 4σF), respectively. Hallimondite is triclinic, space group P1, Z = 2, a = 7.1153(8), b = 10.4780(12), c = 6.8571(8) Å, α = 101.178(3)°, β = 95.711(3)°, γ = 86.651 (3)°, V = 498.64(3) ų, and is isostructural with parsonsite, triclinic, space group P1, Z = 2, a = 6.8432(5), b = 10.4105(7), c = 6.6718(4) Å, α = 101.418(1)°, β = 98-347(2)°, γ = 86.264(2)°, V = 460.64(5) ų. In both structures, hexavalent uranium occurs as a uranyl pentagonal bipyramid. The uranyl polyhedra share an edge, forming dimers that are linked by edge- and vertex-sharing with arsenate or phosphate tetrahedra to form chains along [001]. Two symmetrically distinct Pb positions connect the chains. In hallimondite, a partially occupied oxygen atom is located in the cavity between the uranyl arsenate chains and Pb positions, and is attributed to an H2O group. The crystal of synthetic parsonsite investigated does not have appreciable electron density at this position, but its structural cavity is large enough to contain H2O. The presence of H2O in synthetic hallimondite, and its absence in synthetic parsonsite, are supported by the results of FTIR spectroscopy. In conjunction with thermogravimetric results from the literature, we suggest that the formula of parsonsite should be considered Pb2[(UO2)(PO4)2](H2O)n, and hallimondite, Pb2[(UO2)(AsO4)2](H2O)n with 0 ≤ n ≤ 0.5 in each case. [ABSTRACT FROM AUTHOR]

Two homeotypic hydrated uranyl arsenates, (UO2)[(UO2)(AsO4)]2(H2O)4, UAs4, and (UO2)[(UO2)(AsO4)]2(H2O)5, UAs5 were synthesized by hydrothermal methods. Intensity data were collected at room temperature using MoKα X-radiation and a CCD-based area detector. Their crystal structures were solved by direct methods and refined by full-matrix least-squares techniques on the basis of F2 to agreement indices (UAs4, UAs5) wR2=0.116, 0.060, for all data, and R1=0.046, 0.033, calculated for 3176, 5306 unique observed reflections (|Fo|>4σF) respectively. UAs4 is monoclinic, space group P21/c, Z=4, a=11.238(1), b=7.152(1), c=21.941(2) A˚, β=104.576(2)°, V=1706.8(1) A˚3, Dcalc=4.51 g/cm3. UAs5 is orthorhombic, space group Pca21, Z=4, a=20.133(2), b=11.695(1), c=7.154(1) A˚, V=1684.4(1) A˚3, Dcalc=4.65 g/cm3. Both structures contain sheets of arsenate tetrahedra and uranyl pentagonal bipyramids, with composition [(UO2)(AsO4)]1− and the uranophane sheet anion-topology. The sheets are connected by a uranyl pentagonal bipyramid in the interlayer that shares corners with an arsenate tetrahedron on each of two adjacent sheets, resulting in open-frameworks with isolated H2O groups in the larger cavities of the structures. The uranyl arsenate sheet in UAs4 is relatively planar, and is topologically identical with the uranyl phosphate sheet in (UO2)[(UO2)(PO4)]2(H2O)4. The uranyl arsenate sheet in UAs5 is the same geometrical isomer as in UAs4, but is highly corrugated, exhibiting approximately right angle bends of the sheet after every second uranyl arsenate chain repeat. [Copyright &y& Elsevier]

The uranyl mineral swamboite has been redefined to swamboite-(Nd) and its structure has been solved and refined as a commensurate structure in sixdimensional superspace. The structure is monoclinic, superspace group P21/m(a1, b1, g1)00(-a1, b1, g1)00 (a2,0,g2)0s, cell parameters a = 6.6560(3), b = 6.9881(5), c = 8.8059(6), c = 11.3361(16) Å, ß = 102.591(5)°, modulation wave-vectors q1 = 1/3 1/3 0; q2 = -1/3 1/3 0; q3 = 1/2 0 1/2. The structure was refined from 8717 reflections to a final R = 0.0610. The model includes modulation both of atomic positions and displacement parameters, as well as occupancy waves. The structure is based upon uranyl-silicate sheets of uranophane topology alternating with an interlayer of partly occupied Nd3+ sites and H2O molecules. The strong (3 + 3) dimensional modulation of the structure originates from the distribution of the Nd-dominated sites and further accommodation of the suitable geometry within the sheets and charge distribution within the structure. The separation distances between the corresponding occupied Nd sites are rationals of the super-cell vectors corresponding to the modulation vectors of the structure. The case of swamboite-(Nd) is the first example of a modulated structure within the oxysalts of U6+. [ABSTRACT FROM AUTHOR]