Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9012513 | CIF | Fe5 H6 O20 P4 | C 1 2/c 1 | 17.492; 9.038; 9.349 90; 96.23; 90 | 1469.28 | Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280 |
| 9012514 | CIF | Fe3 Na O12 P3 | C 1 2/c 1 | 11.998; 12.328; 6.5 90; 114.185; 90 | 877.037 | Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280 |
| 9012515 | CIF | H2 Mn O5 P | C 1 2/c 1 | 6.912; 7.47; 7.357 90; 112.3; 90 | 351.451 | Lightfoot, P.; Cheetham, A. K.; Sleight, A. W. Structure of MnPO4*H2O by synchrotron X-ray powder diffraction Inorganic Chemistry, 1987, 26, 3544-3547 |
| 9012516 | CIF | O2 Sb | P n a 21 | 5.434; 4.8091; 11.779 90; 90; 90 | 307.816 | Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C Diantimony tetraoxides revisited Note: displacement parameters from ICSD Inorganic Chemistry, 1988, 27, 1367-1370 |
| 9012517 | CIF | O2 Sb | C 1 2/c 1 | 12.057; 4.8352; 5.384 90; 104.56; 90 | 303.796 | Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C Diantimony tetraoxides revisited Note: displacement parameters from ICSD Inorganic Chemistry, 1988, 27, 1367-1370 |
| 9012518 | CIF | Co O14 P2 V2 | I 4/m m m | 6.264; 6.264; 13.428 90; 90; 90 | 526.884 | Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748 |
| 9012519 | CIF | Ca H8 O14 P2 V2 | P 1 | 6.3484; 6.35; 6.597 106.81; 94.09; 90.02 | 253.867 | Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748 |
| 9012520 | CIF | H8 O14 P2 Sr V2 | C 1 c 1 | 9.026; 9.01; 12.841 90; 100.19; 90 | 1027.81 | Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748 |
| 9012521 | CIF | H6 O14 P2 Pb V2 | C 1 c 1 | 9.03; 9.021; 12.874 90; 100.16; 90 | 1032.27 | Kang, H. Y.; Lee, W. C.; Wang, S. L. Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) Inorganic Chemistry, 1992, 31, 4743-4748 |
| 9012522 | CIF | As Be2 H9 O9 | P 1 21/a 1 | 7.2349; 12.686; 8.6548 90; 98.439; 90 | 785.754 | Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441 |
| 9012523 | CIF | H15 Na2 O12 P Zn | P 1 21/a 1 | 6.4212; 21.612; 8.6813 90; 109.899; 90 | 1132.82 | Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441 |
| 9012524 | CIF | D6 Mn N O5 P | P m n 21 | 5.7173; 8.8312; 4.8774 90; 90; 90 | 246.263 | Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 1.6 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927 |
| 9012525 | CIF | D6 Mn N O5 P | P m n 21 | 5.7142; 8.8255; 4.8762 90; 90; 90 | 245.91 | Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 21.4 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927 |
| 9012526 | CIF | D6 Mn N O5 P | P m n 21 | 5.7302; 8.8191; 4.9087 90; 90; 90 | 248.062 | Carling, S. G.; Day, P.; Visser, D. Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD Inorganic Chemistry, 1995, 34, 3917-3927 |
| 9012527 | CIF | Ba H8 O14 P2 V2 | P 1 n 1 | 6.386; 12.7796; 6.387 90; 90.172; 90 | 521.244 | Roca, M.; Marcos, M. D.; Amoros, P.; Alamo, J.; Beltran-Porter A; Beltran-Porter D Synthesis and crystal structure of a novel lamellar barium derivative: Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates M(VOPO4)2*nH2O Inorganic Chemistry, 1997, 36, 3414-3421 |
| 9012528 | CIF | H2 In O5 P | P -1 | 5.4342; 5.5508; 6.5446 97.593; 94.558; 107.565 | 185.064 | Tang, X. J.; Lachgar, A. The missing link: synthesis, crystal structure, and thermogravimetric studies of InPO4*H2O Inorganic Chemistry, 1998, 37, 6181-6185 |
| 9012529 | CIF | Ca2 H4 In O13 P3 | C 1 2/c 1 | 7.573; 15.838; 9.3126 90; 113.55; 90 | 1023.93 | X. Tang; A. Jones; A. Lachgar; B. J. Gross; J. L. Yarger Synthesis, crystal structure, NMR studies, and thermal stability of mixed iron-indium phosphates with quasi-one-dimensional frameworks Inorganic Chemistry, 1999, 38, 6032-6038 |
| 9013466 | CIF | Fe3 H6 O11 P2 | P b n a | 9.46; 10.024; 8.67 90; 90; 90 | 822.15 | Moore, P. B.; Araki, T. A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Inorganic Chemistry, 1976, 15, 316-321 |
| 9013467 | CIF | Fe3 H3 O11 P2 | P b n a | 9.518; 9.749; 8.031 90; 90; 90 | 745.204 | Moore, P. B.; Araki, T. A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air Inorganic Chemistry, 1976, 15, 316-321 |
| 9013468 | CIF | N S | P 1 21/n 1 | 8.752; 7.084; 8.629 90; 93.68; 90 | 533.888 | LeLucia, M. L.; Coppens, P. Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K Inorganic Chemistry, 1978, 17, 2336-2338 |
| 9014052 | CIF | Ba2 Co O7 Si2 | C 1 2/c 1 | 8.45; 10.729; 8.474 90; 111.365; 90 | 715.458 | Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 1 Inorganic Chemistry, 1996, 35, 3492-3497 |
| 9014087 | CIF | Cl6 Co Fe H18 N6 | P a -3 | 11.2506; 11.2506; 11.2506 90; 90; 90 | 1424.06 | Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295 |
| 9014172 | CIF | Bi2 Pb3 S6 | B b m m | 13.216; 20.163; 4.03 90; 90; 90 | 1073.89 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014185 | CIF | Bi2 Pb3 S6 | P b n m | 11.026; 23.023; 4.0233 90; 90; 90 | 1021.32 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014485 | CIF | Bi2 Pb3 S6 | B b m m | 13.353; 20.367; 4.0615 90; 90; 90 | 1104.57 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 1.95 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015014 | CIF | Bi2 Pb3 S6 | P b n m | 10.891; 22.638; 3.9926 90; 90; 90 | 984.377 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015398 | CIF | Bi2 Pb3 S6 | B b m m | 13.54; 20.637; 4.1103 90; 90; 90 | 1148.52 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 0.0001 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015552 | CIF | Ba Co2 O7 Si2 | C 1 2/c 1 | 7.2131; 12.781; 13.762 90; 90.299; 90 | 1268.71 | Adams, R. D.; Layland, R.; Payen, C.; Datta, T. Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2 Inorganic Chemistry, 1996, 35, 3492-3497 |
| 9015566 | CIF | Pt Sb1.347 Sn1.821 | I m -3 | 9.3887; 9.3887; 9.3887 90; 90; 90 | 827.592 | Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y. SnxPt4SnySb12-y: A skutterudite with covalently bonded filler Inorganic Chemistry, 2008, 47, 9489-9496 |
| 9015615 | CIF | Bi2 Pb3 S6 | B b m m | 13.28; 20.26; 4.0448 90; 90; 90 | 1088.27 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 2.90 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9016244 | CIF | Cl6 Fe K3 Na | R -3 c :R | 8.3376; 8.3376; 8.3376 92.29; 92.29; 92.29 | 578.166 | Beattie, J. K.; Moore, C. J. Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III) Inorganic Chemistry, 1982, 21, 1292-1295 |
| 9016553 | CIF | O3 Si Sr | P -1 | 6.874; 6.894; 9.717 85.01; 110.57; 104.01 | 418.298 | Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A. High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-phase Inorganic Chemistry, 1982, 21, 1512-1519 |
| 9016558 | CIF | O3 Si Sr | P 1 21/c 1 | 7.452; 6.066; 13.479 90; 117.09; 90 | 542.457 | Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A. High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-prime-phase Inorganic Chemistry, 1982, 21, 1512-1519 |
| 9017477 | CIF | As2 Cu4 O9 | P n m a | 8.253; 6.4122; 13.789 90; 90; 90 | 729.712 | Adams, R. D.; Layland, R.; Payen, C. Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties Inorganic Chemistry, 1995, 34, 5397-5398 |
| 9017478 | CIF | As2 Te3 | C 1 2/m 1 | 14.337; 4.015; 9.887 90; 95.06; 90 | 566.908 | Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E. Polymorphism in thermoelectric As2Te3 Note: T = 300 K Inorganic Chemistry, 2015, 54, 9936-9947 |
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