Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9011530 | CIF | H4 K2 Mn O10 Se2 | P -1 | 5.674; 6.608; 7.523 110.31; 95.69; 108.35 | 244.099 | Fleck, M.; Kolitsch, U. Natural and synthetic compounds with krohnkite-type chains. An update Zeitschrift fur Kristallographie, 2003, 218, 553-567 |
| 9011531 | CIF | Ca2 Fe0.89 H4 Mg0.11 O10 P2 | P -1 | 5.48; 5.759; 6.569 90.18; 102.62; 108.45 | 191.32 | Fleck, M.; Kolitsch, U. Natural and synthetic compounds with krohnkite-type chains. An update Zeitschrift fur Kristallographie, 2003, 218, 553-567 |
| 9011532 | CIF | Cr4 H4 K2 O16 Zn | P -1 | 6.794; 7.735; 7.834 88.97; 80.9; 64.57 | 366.545 | Fleck, M.; Kolitsch, U. Natural and synthetic compounds with krohnkite-type chains. An update Zeitschrift fur Kristallographie, 2003, 218, 553-567 |
| 9011533 | CIF | Ca O3 Si | P -1 | 6.596; 9.223; 6.554 83.75; 77.28; 70.07 | 365.385 | Joswig, W.; Paulus, E. F.; Winkler, B.; Milman, V. The crystal structure of CaSiO3-walstromite, a special isomorph of wollastonite-II Zeitschrift fur Kristallographie, 2003, 218, 811-818 |
| 9011535 | CIF | C2.784 H9.112 F2 Li0.618 Mg2.382 N0.696 O10 Si4 | C 1 2/m 1 | 5.2735; 9.1165; 13.561 90; 97.69; 90 | 646.093 | Seidl, W.; Breu, J. Single crystal structure refinement of tetramethylammonium-hectorite Note: isostructural with hectorite Note: anisoU's and H data from ICSD Zeitschrift fur Kristallographie, 2005, 220, 169-176 |
| 9011536 | CIF | C2 Ba Ca2 F2 O6 | C m c m | 12.501; 5.846; 9.443 90; 90; 90 | 690.102 | Zubkova, N. V.; Pushcharovsky, D. Y.; Pekov, I. V.; Rabadanov, M. K. The crystal structure of podlesnoite, BaCa2(CO3)2F2 Zeitschrift fur Kristallographie, 2007, 222, 474-476 |
| 9011544 | CIF | Br H O Zn | P c a b | 5.903; 6.7; 11.86 90; 90; 90 | 469.064 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 282-287 |
| 9011550 | CIF | Cs | F m -3 m | 5.984; 5.984; 5.984 90; 90; 90 | 214.277 | Hall, H. T.; Merrill, L.; Barnett, J. D. High-pressure polymorphism in cesium Sample: at P = 4.1 GPa & T = 27 C Note: known as Cesium-II Note: stable between 2.37 GPa & 4.22 GPa Science, 1964, 146, 1297-1299 |
| 9011551 | CIF | Cs | F m -3 m | 5.8; 5.8; 5.8 90; 90; 90 | 195.112 | Hall, H. T.; Merrill, L.; Barnett, J. D. High-pressure polymorphism in cesium Sample: at P = 4.25 GPa & T = 27 C Note: known as Cesium-III Note: stable between 4.22 GPa & 4.27 GPa Science, 1964, 146, 1297-1299 |
| 9011552 | CIF | Al4 B12 Be4 Cs O28 | P -4 3 m | 7.319; 7.319; 7.319 90; 90; 90 | 392.062 | Buerger, M. J.; Taxer, K. Rhodizite. Structure and composition Science, 1966, 152, 500-502 |
| 9011553 | CIF | Cd Ge O3 | I 41/a | 12.406; 12.406; 12.256 90; 90; 90 | 1886.31 | Prewitt, C. T.; Sleight, A. W. Garnet-like structures of high-pressure cadmium germanate and calcium germanate Note: changed O2(y) to -.0500 to match reported bond distances Science, 1969, 163, 386-387 |
| 9011554 | CIF | Fe2 Na O15 Si6 | C m c e | 14.31; 17.28; 10.11 90; 90; 90 | 2499.97 | Merlino, S. Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper Science, 1969, 166, 1399-1401 |
| 9011555 | CIF | B15 H1.6 N3 O32 | C 1 2/c 1 | 25.27; 9.65; 11.56 90; 94.28; 90 | 2811.11 | Merlino, S.; Sartori, F. Ammonioborite: New borate polyion and its structure Science, 1971, 171, 377-379 |
| 9011556 | CIF | Li | I m -3 m | 3.285; 3.285; 3.285 90; 90; 90 | 35.449 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 3.3 GPa, T = 296 K Note: film # 2-3 Science, 1983, 219, 1071-1072 |
| 9011557 | CIF | Li | I m -3 m | 3.272; 3.272; 3.272 90; 90; 90 | 35.03 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 3.5 GPa, T = 296 K Note: film # 4-4 Science, 1983, 219, 1071-1072 |
| 9011558 | CIF | Li | I m -3 m | 3.216; 3.216; 3.216 90; 90; 90 | 33.262 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 4-5 Science, 1983, 219, 1071-1072 |
| 9011559 | CIF | Li | I m -3 m | 3.217; 3.217; 3.217 90; 90; 90 | 33.293 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 2-4 Science, 1983, 219, 1071-1072 |
| 9011560 | CIF | Li | I m -3 m | 3.161; 3.161; 3.161 90; 90; 90 | 31.584 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 6.6 GPa, T = 296 K Note: film # 2-5 Science, 1983, 219, 1071-1072 |
| 9011561 | CIF | Li | F m -3 m | 3.9; 3.9; 3.9 90; 90; 90 | 59.319 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 8.0 GPa, T = 296 K Note: film # 4-7 Science, 1983, 219, 1071-1072 |
| 9011562 | CIF | Li | F m -3 m | 3.855; 3.855; 3.855 90; 90; 90 | 57.289 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.6 GPa, T = 296 K Note: film # 2-8 Science, 1983, 219, 1071-1072 |
| 9011563 | CIF | Li | F m -3 m | 3.843; 3.843; 3.843 90; 90; 90 | 56.756 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.8 GPa, T = 296 K Note: film # 4-9 Science, 1983, 219, 1071-1072 |
| 9011564 | CIF | Li | F m -3 m | 3.832; 3.832; 3.832 90; 90; 90 | 56.27 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.9 GPa, T = 296 K Note: film # 4-10 Science, 1983, 219, 1071-1072 |
| 9011565 | CIF | Li | F m -3 m | 3.828; 3.828; 3.828 90; 90; 90 | 56.094 | Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 10.1 GPa, T = 296 K Note: film # 4-11 Science, 1983, 219, 1071-1072 |
| 9011566 | CIF | H | P 63/m m c | 2.659; 2.659; 4.334 90; 90; 120 | 26.537 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 5.40 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
| 9011567 | CIF | H | P 63/m m c | 2.5058; 2.5058; 4.074 90; 90; 120 | 22.154 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 10.1 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
| 9011568 | CIF | H | P 63/m m c | 2.393; 2.393; 3.885 90; 90; 120 | 19.267 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 15.0 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
| 9011569 | CIF | H | P 63/m m c | 2.308; 2.308; 3.703 90; 90; 120 | 17.083 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 21.4 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
| 9011570 | CIF | H | P 63/m m c | 2.259; 2.259; 3.609 90; 90; 120 | 15.95 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 26.5 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
| 9011571 | CIF | Fe4.93 H O8 | P 63 m c | 5.928; 5.928; 9.126 90; 90; 120 | 277.733 | Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd6 Science, 2007, 316, 1726-1729 |
| 9011572 | CIF | Fe4.87 H O8 | P 63 m c | 5.953; 5.953; 9.096 90; 90; 120 | 279.16 | Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd3 Science, 2007, 316, 1726-1729 |
| 9011573 | CIF | Fe4.75 H O8 | P 63 m c | 5.958; 5.958; 8.965 90; 90; 120 | 275.602 | Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd2 Science, 2007, 316, 1726-1729 |
| 9011574 | CIF | Cr | P 63/m m c | 2.714; 2.714; 4.41 90; 90; 120 | 28.131 | Bradley, A. J.; Ollard, E. F. Allotropy of chromium Nature, 1926, 117, 122-122 |
| 9011575 | CIF | C | F d -3 m :1 | 3.56679; 3.56679; 3.56679 90; 90; 90 | 45.377 | Riley, D. P. Lattice constant of diamond and the C-C single bond Sample: at T = 18 C Nature, 1944, 153, 587-588 |
| 9011576 | CIF | Al Ca3 H34 O24.5 S1.5 | P 63/m c m | 11.23; 11.23; 10.72 90; 90; 120 | 1170.81 | Moore, A.; Taylor, H. F. W. Crystal structure of ettringite Nature, 1968, 218, 1048-1049 |
| 9011577 | CIF | C | P 63/m m c | 2.464; 2.464; 6.711 90; 90; 120 | 35.286 | Trucano, P.; Chen, R. Structure of graphite by neutron diffraction Note: natural crystals Nature, 1975, 258, 136-137 |
| 9011579 | CIF | Mg Na2 O12 Si5 | P 1 2/n 1 | 9.418; 8.647; 5.274 90; 108.13; 90 | 408.178 | Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M. A silica-rich sodium pyroxene phase with six-coordinated silicon Nature, 1988, 335, 156-158 |
| 9011580 | CIF | C60 | P a -3 | 14.04078; 14.04078; 14.04078 90; 90; 90 | 2768.05 | David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M. Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60 Nature, 1991, 353, 147-149 |
| 9011581 | CIF | Mg O3 Si | C 1 2/c 1 | 9.201; 8.621; 4.908 90; 101.5; 90 | 381.496 | Angel, R. J.; Chopelas, A.; Ross, N. L. Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa Nature, 1992, 358, 322-324 |
| 9011582 | CIF | Au2 Te3 | P 1 | 12.11; 13.44; 10.8 104.38; 97.5; 107.93 | 1578.64 | Bachechi, F. Crystal structure of montbrayite Locality: Robb-Montbray, Quebec Nature Physical Science, 1971, 231, 67-68 |
| 9011583 | CIF | Bi7.89 Cu0.888 Fe1.112 Pb12 S35 Sb6.11 | P n n m | 22.575; 34.104; 4.038 90; 90; 90 | 3108.85 | Miehe, G. Crystal structure of kobellite Nature Physical Science, 1971, 231, 133-134 |
| 9011584 | CIF | B H13 Mg5 O10.4 | I 1 2/m 1 | 13.46; 3.1; 18.17 90; 91.6; 90 | 757.866 | Moore, P. B.; Araki, T. Wightmanite, Mg5(O)(OH)5(BO3)*nH2O, a natural drainpipe Nature Physical Science, 1972, 236, 25-26 |
| 9011585 | CIF | Ca9.267 Fe0.2 Mg0.8 O28 P7 | R 3 c :H | 10.324; 10.324; 37.103 90; 90; 120 | 3424.8 | Gopal, R.; Calvo, C. Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Heated Nature Physical Science, 1972, 237, 30-32 |
| 9011586 | CIF | Ca9.083 Fe0.2 Mg0.8 O28 P7 | R 3 c :H | 10.33; 10.33; 37.103 90; 90; 120 | 3428.78 | Gopal, R.; Calvo, C. Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Unheated, T = 293 K, hexagonal cell Note: CaIIB1(z) changed Nature Physical Science, 1972, 237, 30-32 |
| 9011587 | CIF | Al B3 Ca O7 | C m m a | 7.97; 11.722; 4.374 90; 90; 90 | 408.638 | Moore, P. B.; Araki, T. Johachidolite, CaAl[B3O7], a borate with very dense atomic structure Nature Physical Science, 1972, 240, 63-65 |
| 9011588 | CIF | Fe2 O4 Si | P b n m | 4.822; 10.488; 6.094 90; 90; 90 | 308.193 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 0.001 kbar Physica B+C, 1986, 140, 333-336 |
| 9011589 | CIF | Fe2 O4 Si | P b n m | 4.793; 10.31; 6.041 90; 90; 90 | 298.521 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 49 kbar Physica B+C, 1986, 140, 333-336 |
| 9011590 | CIF | Fe2 O4 Si | P b n m | 4.773; 10.252; 6.026 90; 90; 90 | 294.869 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 67 kbar Physica B+C, 1986, 140, 333-336 |
| 9011591 | CIF | Fe2 O4 Si | P b n m | 4.757; 10.153; 5.985 90; 90; 90 | 289.062 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 93 kbar Physica B+C, 1986, 140, 333-336 |
| 9011592 | CIF | Fe2 O4 Si | P b n m | 4.756; 10.089; 5.976 90; 90; 90 | 286.748 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 117 kbar Physica B+C, 1986, 140, 333-336 |
| 9011593 | CIF | Fe2 O4 Si | P b n m | 4.739; 9.899; 5.979 90; 90; 90 | 280.483 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 140 kbar Physica B+C, 1986, 140, 333-336 |
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