Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013117 | CIF | Br2 | C m c e | 6.5982; 4.4933; 8.7014 90; 90; 90 | 257.976 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 80 K Molecular Physics, 1984, 53, 929-939 |
| 9013118 | CIF | Br2 | C m c e | 6.6567; 4.5541; 8.7068 90; 90; 90 | 263.949 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 170 K Molecular Physics, 1984, 53, 929-939 |
| 9013119 | CIF | Br2 | C m c e | 6.7265; 4.6451; 8.7023 90; 90; 90 | 271.906 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 250 K Molecular Physics, 1984, 53, 929-939 |
| 9013120 | CIF | Cl2 | C m c e | 6.1453; 4.3954; 8.1537 90; 90; 90 | 220.24 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 22 K Molecular Physics, 1984, 53, 929-939 |
| 9013121 | CIF | Cl2 | C m c e | 6.1804; 4.4174; 8.1711 90; 90; 90 | 223.082 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 55 K Molecular Physics, 1984, 53, 929-939 |
| 9013122 | CIF | Cl2 | C m c e | 6.2235; 4.4561; 8.1785 90; 90; 90 | 226.811 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 100 K Molecular Physics, 1984, 53, 929-939 |
| 9013123 | CIF | Cl2 | C m c e | 6.2929; 4.5361; 8.1617 90; 90; 90 | 232.978 | Powell, B. M.; Heal, K. M.; Torrie, B. H. The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 160 K Molecular Physics, 1984, 53, 929-939 |
| 9013124 | CIF | Se | R -3 m :H | 3.965; 3.965; 3.091 90; 90; 120 | 42.084 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 66 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013125 | CIF | Se | R -3 m :H | 3.937; 3.937; 3.044 90; 90; 120 | 40.861 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 76.9 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013126 | CIF | Se | R -3 m :H | 3.908; 3.908; 2.985 90; 90; 120 | 39.481 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 86.2 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013127 | CIF | Se | R -3 m :H | 3.892; 3.892; 2.9572 90; 90; 120 | 38.793 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 87.9 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013128 | CIF | Se | R -3 m :H | 3.8704; 3.8704; 2.9123 90; 90; 120 | 37.781 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 101.3 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013129 | CIF | Se | R -3 m :H | 3.834; 3.834; 2.848 90; 90; 120 | 36.256 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 110 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013130 | CIF | Se | R -3 m :H | 3.829; 3.829; 2.791 90; 90; 120 | 35.437 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 120 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013131 | CIF | Se | R -3 m :H | 3.838; 3.838; 2.695 90; 90; 120 | 34.379 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 130 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013132 | CIF | Se | R -3 m :H | 3.85; 3.85; 2.645 90; 90; 120 | 33.953 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013133 | CIF | Se | R -3 m :H | 3.844; 3.844; 2.635 90; 90; 120 | 33.719 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note: structure known as beta-Po type, phase Se V Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013134 | CIF | Se | I m -3 m | 2.822; 2.822; 2.822 90; 90; 90 | 22.474 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 140 GPa Note: structure known as bcc, phase Se VI Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013135 | CIF | Se | I m -3 m | 2.8159; 2.8159; 2.8159 90; 90; 90 | 22.328 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 142.5 GPa Note: structure known as bcc, phase Se VI Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013136 | CIF | Se | I m -3 m | 2.8076; 2.8076; 2.8076 90; 90; 90 | 22.131 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 146.5 GPa Note: structure known as bcc, phase Se VI Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013137 | CIF | Se | I m -3 m | 2.7941; 2.7941; 2.7941 90; 90; 90 | 21.814 | Akahama, Y.; Kobayashi, M.; Kawamura, H. Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 150 GPa Note: structure known as bcc, phase Se VI Japanese Journal of Applied Physics, 1992, 31, 1621-1624 |
| 9013138 | CIF | Se6 | R -3 :H | 11.362; 11.362; 4.429 90; 90; 120 | 495.16 | Miyamoto, Y. Structure and phase transformation of rhombohedral selenium composed of Se6 molecules Locality: synthetic Japanese Journal of Applied Physics, 1980, 19, 1813-1819 |
| 9013139 | CIF | N4 Si3 | P 3 1 c | 7.765; 7.765; 5.6275 90; 90; 120 | 293.852 | Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I. Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances Ceramics International, 1995, 21, 137-142 |
| 9013140 | CIF | N4 Si3 | P 63/m | 7.6093; 7.6093; 2.9079 90; 90; 120 | 145.814 | Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I. Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Sample: Beta phase Ceramics International, 1995, 21, 137-142 |
| 9013141 | CIF | Bi2 O5 Te | A e m 2 | 11.602; 16.461; 5.523 90; 90; 90 | 1054.79 | Mercurio, D.; El Farissi, M.; Frit, B.; Goursat, P. Etude structurale et densification d'un nouveau materiau piezoelectrique: Bi2TeO5 Locality: synthetic Materials Chemistry and Physics, 1983, 9, 467-476 |
| 9013142 | CIF | Ag3 As S3 | C 1 2/c 1 | 12.02; 6.262; 17.08 90; 110.9; 90 | 1201.01 | Rosenstingl, J.; Pertlik, F. Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie Mitteilungen der Osterreichischen Mineralogischen Gesellschaft, 1993, 138, 9-16 |
| 9013143 | CIF | H18 Na2 O12 Si | I b c a | 11.7119; 19.973; 11.5652 90; 90; 90 | 2705.35 | Pekova, I. V.; Chukanov, N. V.; Zadov, A. E.; Zubkova, N. V.; Pushcharovsky D Yu Chesnokovite, Na2[SiO2(OH)2]*8H2O, the first natural sodium orthosilicate from the Lovozero alkaline pluton, Kola Peninsula: Description and crystal structure of a new mineral species Locality: Mt. Kedykverpakhk, Lovozero alkaline pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2007, 49, 727-738 |
| 9013144 | CIF | Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 | P 1 21/a 1 | 13.4656; 5.7356; 11.0977 90; 100.636; 90 | 842.386 | Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H. The crystal structure of a new mineral dingdaohengite-(Ce) Kuangwu Xuebao, 2005, 25, 313-320 |
| 9013145 | CIF | Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 | C 1 2/m 1 | 13.4656; 5.7356; 11.0977 90; 100.636; 90 | 842.386 | Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H. The crystal structure of a new mineral dingdaohengite-(Ce) Kuangwu Xuebao, 2005, 25, 313-320 |
| 9013146 | CIF | Al5 H42 K3 O50 P8 | R -3 c :H | 8.7025; 8.7025; 95.05 90; 90; 120 | 6234.06 | Dick, S.; Gossner, U.; Weiss, A.; Robl, C.; Grossman, G.; Ohms, G.; Zeiske, T. Taranakite - the mineral with the longest crystallographic axis Inorganica Chimica Acta, 1998, 269, 47-57 |
| 9013147 | CIF | Co Cr2 O4 | F d -3 m :2 | 8.3346; 8.3346; 8.3346 90; 90; 90 | 578.968 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.00 Polyhedron, 1986, 5, 787-789 |
| 9013148 | CIF | Co1.2 Cr1.7 O4 Sb0.1 | F d -3 m :2 | 8.3461; 8.3461; 8.3461 90; 90; 90 | 581.368 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.10, Co1.2Cr1.7Sb.1O4 Polyhedron, 1986, 5, 787-789 |
| 9013149 | CIF | Co1.4 Cr1.4 O4 Sb0.2 | F d -3 m :2 | 8.3783; 8.3783; 8.3783 90; 90; 90 | 588.122 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.20, Co1.4Cr1.4Sb.2O4 Polyhedron, 1986, 5, 787-789 |
| 9013150 | CIF | Co1.6 Cr1.1 O4 Sb0.3 | F d -3 m :2 | 8.4187; 8.4187; 8.4187 90; 90; 90 | 596.671 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.30, Co1.6Cr1.1Sb.3O4 Polyhedron, 1986, 5, 787-789 |
| 9013151 | CIF | Co1.8 Cr0.8 O4 Sb0.4 | F d -3 m :2 | 8.4577; 8.4577; 8.4577 90; 90; 90 | 605.002 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.40, Co1.8Cr.8Sb.4O4 Polyhedron, 1986, 5, 787-789 |
| 9013152 | CIF | Co2 Cr0.5 O4 Sb0.5 | F d -3 m :2 | 8.4909; 8.4909; 8.4909 90; 90; 90 | 612.155 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.50, Co2Cr.5Sb.5O4 Polyhedron, 1986, 5, 787-789 |
| 9013153 | CIF | Co2.2 Cr0.2 O4 Sb0.6 | F d -3 m :2 | 8.5185; 8.5185; 8.5185 90; 90; 90 | 618.144 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.60, Co2.2Cr.2Sb.6O4 Polyhedron, 1986, 5, 787-789 |
| 9013154 | CIF | Co2.333 O4 Sb0.667 | F d -3 m :2 | 8.533; 8.533; 8.533 90; 90; 90 | 621.306 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 2/3, Co2.333Sb.667O4 Polyhedron, 1986, 5, 787-789 |
| 9013155 | CIF | Al2 Ba2 Ca F14 Mg | C 1 2/c 1 | 13.565; 5.2; 14.577 90; 91.5; 90 | 1027.88 | Litvin, A. L.; Petrunina, A. A.; Ostapenko, S. S. Crystal structure of usovite Dopovidi Akademii Nauk Ukrainskoi RSR Seriya B-Geologichni Khimichni Ta Biologichni Nauki, 1980, 3, 47-80 |
| 9013156 | CIF | Al3.96 Cu1.12 F2 Fe0.04 H28 O28.72 P4 V0.88 | P 1 21/c 1 | 4.961; 12.181; 18.974 90; 90.96; 90 | 1146.44 | Colchester, D. M.; Leverett, P.; McKinnon, A. R.; Sharpe, J. L.; Williams, P. A. Cloncurryite, Cu0.56(VO)0.44Al2(PO4)2(F,OH)2*5H2O, a new mineral from the Great Australia mine, Cloncurry, Queensland, Australia, and its relationship to nevadaite Locality: Great Australia mine, Concurry, Queensland, Australia Australian Journal of Mineralogy, 2007, 13, 5-14 |
| 9013157 | CIF | Ca Cu H10.88 O14 P2 U | C 1 2/m 1 | 12.79; 6.85; 13.02 90; 91.03; 90 | 1140.52 | Birch, W. D.; Mumme, W. G.; Segnit, E. R. Ulrichite: a new copper calcium uranium phosphate from Lake Boga, Victoria, Australia Locality: Lake Boga, Victoria, Australia Australian Mineralogist, 1988, 3, 125-131 |
| 9013158 | CIF | Sb Sn | R -3 m :R | 6.124; 6.124; 6.124 89.38; 89.38; 89.38 | 229.631 | Hagg, G.; Hybinette, A. G. X-ray studies on the systems of tin-antimony and tin-arsenic The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, 1935, 20, 913-929 |
| 9013159 | CIF | Cr Fe P | P n m a | 5.833; 3.569; 6.658 90; 90; 90 | 138.606 | Kumar, S.; Krishnamurthy, A.; Srivastava, B. K.; Das, A.; Paranjpe, S. K. Magnetization and neutron diffraction studies on FeCrP Pramana - Journal of Physics, 2004, 63, 199-205 |
| 9013160 | CIF | H46 K Na8 O46 Si9 | P 1 21/c 1 | 24.8219; 11.9236; 14.8765 90; 94.486; 90 | 4389.46 | Zubkova, N. V.; Pekov, I. V.; Chukanov, N. V.; Listsin, D. V.; Rabadanov, M. K.; Pushcharovsky, D. Y. New data on megacyclite New Data on Minerals. Moscow, 2007, 42, 81-92 |
| 9013161 | CIF | Fe4 H4 K2 Mg2 Na2 O30 Si8 Ti2 | A 1 2 1 | 10.37; 23.129; 5.322 90; 99.55; 90 | 1258.78 | Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y. Structure Refinement of Monoclinic Astrophyllite Acta Crystallographica Section B, 1998, 54, 109-114 |
| 9013162 | CIF | S Zn | P 63 m c | 3.812; 3.812; 18.68999 90; 90; 120 | 235.204 | Myer, G. H. Hydrothermal wurtzite at Thomaston Dam, Connecticut American Mineralogist, 1962, 47, 977-979 |
| 9013163 | CIF | Al2 Na2 O10 Si3 | C 1 2 1 (a+2*c,a,b) | 16.167; 16.938; 6.438 90; 90; 89.68 | 1762.93 | Wang, H.; Bish, D. L. A PH2O-dependent structural phase transition in the zeolite natrolite Sample: alpha1-metanatrolite at 400 C, 0.15 mbar American Mineralogist, 2008, 93, 1191-1194 |
| 9013164 | CIF | Ca H4 O6 S | C 1 2/c 1 | 6.277; 15.181; 5.672 90; 114.11; 90 | 493.34 | Comodi, P.; Nazzareni, S.; Zanazzi, P. F.; Speziale, S. High-pressure behavior of gypsum: A single-crystal X-ray study Note: P = 0.0001 GPa American Mineralogist, 2008, 93, 1530-1537 |
| 9013165 | CIF | Ca H4 O6 S | C 1 2/c 1 | 6.282; 15.175; 5.673 90; 114.13; 90 | 493.548 | Comodi, P.; Nazzareni, S.; Zanazzi, P. F.; Speziale, S. High-pressure behavior of gypsum: A single-crystal X-ray study Locality: Valle di Caramanico, Abruzzo, Italy Note: P = 0.25 GPa American Mineralogist, 2008, 93, 1530-1537 |
| 9013166 | CIF | Ca H4 O6 S | C 1 2/c 1 | 6.269; 15.14; 5.665 90; 114.1; 90 | 490.813 | Comodi, P.; Nazzareni, S.; Zanazzi, P. F.; Speziale, S. High-pressure behavior of gypsum: A single-crystal X-ray study Locality: Valle di Caramanico, Abruzzo, Italy Note: P = 0.33 GPa American Mineralogist, 2008, 93, 1530-1537 |
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