Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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9012168 | CIF | Cr2 Cu0.55 Fe0.45 S2.8 Se1.2 | F d -3 m :1 | 10.044; 10.044; 10.044 90; 90; 90 | 1013.26 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012169 | CIF | Cr2 Cu0.5 Fe0.5 S2.8 Se1.2 | F d -3 m :1 | 10.052; 10.052; 10.052 90; 90; 90 | 1015.68 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012170 | CIF | Cr2 Cu0.45 Fe0.55 S2.8 Se1.2 | F d -3 m :1 | 10.063; 10.063; 10.063 90; 90; 90 | 1019.02 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012171 | CIF | Cr2 Cu0.4 Fe0.6 S2.8 Se1.2 | F d -3 m :1 | 10.072; 10.072; 10.072 90; 90; 90 | 1021.76 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012172 | CIF | Cr2 Cu0.35 Fe0.65 S2.8 Se1.2 | F d -3 m :1 | 10.081; 10.081; 10.081 90; 90; 90 | 1024.5 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012173 | CIF | Cr2 Cu0.3 Fe0.7 S2.8 Se1.2 | F d -3 m :1 | 10.091; 10.091; 10.091 90; 90; 90 | 1027.55 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012174 | CIF | Cr2 Cu0.2 Fe0.8 S2.8 Se1.2 | F d -3 m :1 | 10.103; 10.103; 10.103 90; 90; 90 | 1031.22 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012175 | CIF | Cr2 Cu0.1 Fe0.9 S2.8 Se1.2 | F d -3 m :1 | 10.122; 10.122; 10.122 90; 90; 90 | 1037.05 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012176 | CIF | Cr2 Fe S2.8 Se1.2 | F d -3 m :1 | 10.136; 10.136; 10.136 90; 90; 90 | 1041.36 | Riedel, E.; Karl, R.; Rackwitz, R. Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic Journal of Solid State Chemistry, 1981, 40, 255-265 |
9012177 | CIF | Al F7 Mg Na2 | I m m a | 7.051; 9.968; 7.285 90; 90; 90 | 512.022 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: Imma refinement, T = ambient Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012178 | CIF | Al F7 Mg Na2 | I m m a | 7.05; 9.979; 7.297 90; 90; 90 | 513.358 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: Imma refinement, T = 133 K Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012179 | CIF | Al F7 Mg Na2 | I m m 2 | 7.051; 9.968; 7.285 90; 90; 90 | 512.022 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: Imm2 refinement, T = ambient Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012180 | CIF | Al F7 Mg Na2 | I m m 2 | 7.05; 9.979; 7.297 90; 90; 90 | 513.358 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: Imm2 refinement, T = 133 K Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012181 | CIF | Al F7 Mg Na2 | I 21 21 21 | 7.051; 9.968; 7.285 90; 90; 90 | 512.022 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = ambient Note: y(F6) and z(F6) corrected Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012182 | CIF | Al F7 Mg Na2 | I 21 21 21 | 7.05; 9.979; 7.297 90; 90; 90 | 513.358 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = 133 K Note: y(F6) and z(F6) corrected Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012183 | CIF | Al F7 Mg Na2 | I 2 m b | 7.051; 9.968; 7.285 90; 90; 90 | 512.022 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2mb refinement, T = ambient Note: z(F6) corrected Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012184 | CIF | Al F7 Mg Na2 | I 2 m b | 7.051; 9.968; 7.285 90; 90; 90 | 512.022 | Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2mb refinement, T = 133 K Note: z(F6) corrected Journal of Solid State Chemistry, 1982, 43, 213-221 |
9012185 | CIF | Ca6.5 F21.5 Y3 | R -3 :H | 16.962; 16.962; 9.6664 90; 90; 120 | 2408.52 | Bevan, D. J. M.; Strahle, J.; Greis, O. The crystal structure of tveitite, an ordered yttrofluorite mineral Note: a and b adjusted to match reported bond lengths Journal of Solid State Chemistry, 1982, 44, 75-81 |
9012186 | CIF | Fe3 O7 P | R 3 m :H | 8.006; 8.006; 6.863 90; 90; 120 | 380.957 | Modaressi, A.; Courtois, A.; Gerardin, R.; Malaman, B.; Gleitzer, C. Fe3PO7, un cas de coordinence 5 du fer trivalent, etude structurale et magnetique Locality: synthetic Journal of Solid State Chemistry, 1983, 47, 245-255 |
9012189 | CIF | Fe O6 Ta2 | P 42/m n m | 4.749; 4.749; 9.192 90; 90; 90 | 207.307 | Eicher, S. M.; Greedan, J. E.; Lushington, K. J. The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional behavior Locality: synthetic Journal of Solid State Chemistry, 1986, 62, 220-230 |
9012191 | CIF | S2 W | P 63/m m c | 3.1532; 3.1532; 12.323 90; 90; 120 | 106.108 | Schutte, W. J.; de Boer, J. L.; Jellinek, F. Crystal structures of tungsten disulfide and diselenide Sample: 2H polytype Journal of Solid State Chemistry, 1987, 70, 207-209 |
9012192 | CIF | S2 W | R 3 m :H | 3.158; 3.158; 18.49 90; 90; 120 | 159.695 | Schutte, W. J.; de Boer, J. L.; Jellinek, F. Crystal structures of tungsten disulfide and diselenide Sample: 3R polytype Journal of Solid State Chemistry, 1987, 70, 207-209 |
9012193 | CIF | Se2 W | P 63/m m c | 3.282; 3.282; 12.96 90; 90; 120 | 120.896 | Schutte, W. J.; de Boer, J. L.; Jellinek, F. Crystal structures of tungsten disulfide and diselenide Journal of Solid State Chemistry, 1987, 70, 207-209 |
9012194 | CIF | O2.326 U | F -4 3 m | 5.44; 5.44; 5.44 90; 90; 90 | 160.989 | Lauriat, J. P.; Chevrier, G.; Boucherle, J. X. Space group of U4O9 in the beta phase Sample: F-43m refinement Journal of Solid State Chemistry, 1989, 80, 80-93 |
9012195 | CIF | O2.338 U | P -4 3 m | 5.44; 5.44; 5.44 90; 90; 90 | 160.989 | Lauriat, J. P.; Chevrier, G.; Boucherle, J. X. Space group of U4O9 in the beta phase Sample: P-43m refinement Journal of Solid State Chemistry, 1989, 80, 80-93 |
9012196 | CIF | Al2 Cu | I 4/m c m | 6.067; 6.067; 4.877 90; 90; 90 | 179.515 | Meetsma, A.; de Boer, J. L.; van Smaalen, S. Refinement of the crystal structure of tetragonal Al2Cu Journal of Solid State Chemistry, 1989, 83, 370-372 |
9012197 | CIF | C6 H16 Al O14 | I 41/a c d :2 | 15.553; 15.553; 23.11 90; 90; 90 | 5590.21 | Robl, C.; Kuhs, W. F. A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K Sample: T = 15 K Locality: Tatabanya, Hungary Journal of Solid State Chemistry, 1991, 92, 101-109 |
9012198 | CIF | H8 Mg0.62 O12 P2 Zn2.38 | P n m a | 10.594; 18.333; 5.029 90; 90; 90 | 976.731 | Haussuhl, S.; Middendorf, B.; Dorffel, M. Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O Journal of Solid State Chemistry, 1991, 93, 9-16 |
9012199 | CIF | Be Ca H O5 P | P 1 21/a 1 | 9.784; 7.659; 4.808 90; 90.05; 90 | 360.29 | Long, Y. The synthesis and structure of a beryllophosphate crystal with an open framework Locality: synthetic Journal of Solid State Chemistry, 1992, 101, 199-201 |
9012201 | CIF | Cs H6 In2 O14 P3 | P 1 21/c 1 | 6.58; 18.092; 10.18 90; 97.92; 90 | 1200.32 | Dhingra, S. S.; Haushalter, R. C. Synthesis and crystal structure of the octahedral-tetrahedral framework indium phosphate Cs[In2(PO4)(HPO4)2(H2O)2] Journal of Solid State Chemistry, 1994, 112, 96-99 |
9012202 | CIF | Ag7 As S6 | P 21 3 | 10.475; 10.475; 10.475 90; 90; 90 | 1149.38 | Pertlik, F. Hydrothermal synthesis and crystal structure determination of heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on thioarsenate anions Locality: synthetic Journal of Solid State Chemistry, 1994, 112, 170-175 |
9012203 | CIF | Li2.88 N0.14 O3.73 P | P m n b | 6.1153; 10.469; 4.9195 90; 90; 90 | 314.952 | Wang, B.; Chakoumakos, B. C.; Sales, B. C.; Kwak, B. S.; Bates, J. B. Synthesis, crystal structure, and ionic conductivity of a polycrystalline lithium phosphorus oxynitride with the gamma-Li3PO4 structure Note: reported bond lengths inconsistent with reported structure Journal of Solid State Chemistry, 1995, 115, 313-323 |
9012204 | CIF | Li3 O4 P | P m n b | 6.1113; 10.4612; 4.9208 90; 90; 90 | 314.594 | Wang, B.; Chakoumakos, B. C.; Sales, B. C.; Kwak, B. S.; Bates, J. B. Synthesis, crystal structure, and ionic conductivity of a polycrystalline lithium phosphorus oxynitride with the gamma-Li3PO4 structure Journal of Solid State Chemistry, 1995, 115, 313-323 |
9012205 | CIF | Ca3 O9 Si2 Zr | P 1 21/c 1 | 7.3603; 10.1766; 10.4514 90; 90.875; 90 | 782.748 | Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W. Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction Journal of Solid State Chemistry, 1995, 115, 464-468 |
9012206 | CIF | Ca3 Hf O9 Si2 | P 1 21/c 1 | 7.3517; 10.1489; 10.4319 90; 91.084; 90 | 778.202 | Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W. Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction Journal of Solid State Chemistry, 1995, 115, 464-468 |
9012207 | CIF | Ca O4 S | C 2 2 2 | 12.0777; 6.9723; 6.304 90; 90; 90 | 530.856 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Journal of Solid State Chemistry, 1995, 117, 165-176 |
9012208 | CIF | Ca H O4.5 S | I 1 2 1 | 12.0317; 6.9272; 12.6711 90; 90.27; 90 | 1056.07 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
9012209 | CIF | Ca H O4.5 S | I 1 2 1 | 12.0317; 6.9269; 12.6712 90; 90.27; 90 | 1056.04 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
9012210 | CIF | Ca H1.33333 O4.6 S | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
9012211 | CIF | Ca H1.2 O4.6 S | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
9012212 | CIF | H4 In O6 P | P b c a | 8.842; 10.187; 10.327 90; 90; 90 | 930.189 | Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L. A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials Journal of Solid State Chemistry, 1995, 117, 373-378 |
9012213 | CIF | H28 K Mg2 Na O22 P2 | P n m a | 25.1754; 6.9316; 11.2189 90; 90; 90 | 1957.76 | Yang, H.; Sun, H. J. Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O Journal of Solid State Chemistry, 2004, 177, 2991-2997 |
9012214 | CIF | Al4.3 Ca0.76 H54 Na2.84 O48.38 Si13.7 | C 1 2/m 1 | 17.677; 17.931; 7.426 90; 116.47; 90 | 2107.04 | Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Locality: Nasik, India Journal of Solid State Chemistry, 1996, 123, 140-149 |
9012215 | CIF | Al4.3 H46 K4.2 O45.64 Si13.7 | C 1 2/m 1 | 17.636; 17.934; 7.397 90; 116; 90 | 2102.78 | Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149 |
9012216 | CIF | Al2.15 H12.92 O22.34 Rb2.11 Si6.85 | C 1 2/m 1 | 17.686; 18.007; 7.403 90; 116.15; 90 | 2116.33 | Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149 |
9012217 | CIF | Al4.34 Ca0.2 Cs4.16 H30 O42.35 Si13.66 | C -1 | 17.76; 18.095; 7.428 89.91; 115.93; 90.18 | 2146.79 | Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149 |
9012218 | CIF | H In2 K2 O10 P2 | P 21 21 21 | 9.277; 9.339; 11.245 90; 90; 90 | 974.243 | Hriljac, J. A.; Grey, C. P.; Cheetham, A. K.; VerNooy, P. D.; Torardi, C. C. Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra Journal of Solid State Chemistry, 1996, 123, 243-248 |
9012219 | CIF | Mg0.01 O5 V2 | P m n 21 | 11.544; 4.383; 3.574 90; 90; 90 | 180.835 | Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: I Journal of Solid State Chemistry, 1996, 123, 317-323 |
9012220 | CIF | O5 V2 | P m n 21 | 11.544; 4.383; 3.571 90; 90; 90 | 180.683 | Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIa Journal of Solid State Chemistry, 1996, 123, 317-323 |
9012221 | CIF | O5 V2 | P m m n :2 | 11.544; 3.571; 4.383 90; 90; 90 | 180.683 | Shklover, V.; Haibach, T.; Ried, F.; Nesper, R.; Novak, P. Crystal structure of the product of Mg2+ insertion into V2O5 single crystals Sample: IIb Journal of Solid State Chemistry, 1996, 123, 317-323 |
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