Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9009185 | CIF | O S Th | P 4/n m m :1 | 3.963; 3.963; 6.746 90; 90; 90 | 105.948 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009186 | CIF | O Se Th | P 4/n m m :1 | 4.038; 4.038; 7.03 90; 90; 90 | 114.627 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009187 | CIF | O Te Th | P 4/n m m :1 | 4.118; 4.118; 7.549 90; 90; 90 | 128.015 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009188 | CIF | I O Tm | P 4/n m m :1 | 3.895; 3.895; 9.184 90; 90; 90 | 139.331 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009189 | CIF | O S U | P 4/n m m :1 | 3.843; 3.843; 6.694 90; 90; 90 | 98.861 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009190 | CIF | Cl O Y | P 4/n m m :1 | 3.903; 3.903; 6.597 90; 90; 90 | 100.495 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure Crystal Structures, 1963, 1, 294-296 |
| 9009191 | CIF | Cl Fe O | P m m n :1 | 3.75; 3.3; 7.65 90; 90; 90 | 94.669 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 296-298 |
| 9009192 | CIF | Cl I O | P m m n :1 | 4.065; 3.523; 8.08 90; 90; 90 | 115.714 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 296-298 |
| 9009193 | CIF | Br I O | P m m n :1 | 4.049; 3.611; 8.649 90; 90; 90 | 126.457 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 296-298 |
| 9009194 | CIF | Al Cl O | P m m n :1 | 3.62; 3.61; 7.67 90; 90; 90 | 100.233 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 296-298 |
| 9009195 | CIF | Cl2 Pb | P b n m | 9.03; 7.608; 4.525 90; 90; 90 | 310.869 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009196 | CIF | Br2 Pb | P b n m | 9.466; 8.068; 4.767 90; 90; 90 | 364.064 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009197 | CIF | F2 Pb | P b n m | 7.63574; 6.42689; 3.89098 90; 90; 90 | 190.946 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009198 | CIF | Cl H O Pb | P b n m | 9.7; 7.1; 4.05 90; 90; 90 | 278.923 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009199 | CIF | H I O Pb | P b n m | 10.41; 7.8; 4.19 90; 90; 90 | 340.22 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009200 | CIF | S2 Th | P b n m | 8.617; 7.263; 4.267 90; 90; 90 | 267.051 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009201 | CIF | Se2 Th | P b n m | 9.064; 7.61; 4.42 90; 90; 90 | 304.879 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009202 | CIF | Co2 P | P b n m | 6.608; 5.646; 3.513 90; 90; 90 | 131.066 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009203 | CIF | P Ru2 | P b n m | 6.896; 5.902; 3.859 90; 90; 90 | 157.062 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009204 | CIF | P Re2 | P b n m | 10.04; 5.54; 2.939 90; 90; 90 | 163.472 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009205 | CIF | Br2 Sr | P b n m | 9.2; 11.42; 4.3 90; 90; 90 | 451.775 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009206 | CIF | H2 Sr | P b n m | 7.343; 6.364; 3.875 90; 90; 90 | 181.082 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009207 | CIF | D2 Yb | P b n m | 6.763; 5.871; 3.561 90; 90; 90 | 141.392 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009208 | CIF | Ge Rh2 | P b n m | 7.57; 5.44; 4 90; 90; 90 | 164.723 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009209 | CIF | Co2 Si | P b n m | 7.109; 4.918; 3.738 90; 90; 90 | 130.688 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009210 | CIF | Ni2 Si | P b n m | 7.03; 4.99; 3.72 90; 90; 90 | 130.496 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009211 | CIF | As2 Zr | P b n m | 9.027; 6.801; 3.689 90; 90; 90 | 226.477 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 298-306 |
| 9009212 | CIF | Cl2 Hg | P b n m | 4.325; 12.735; 5.963 90; 90; 90 | 328.435 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 306-307 |
| 9009213 | CIF | Br2 Hg | P b n m | 4.624; 12.445; 6.798 90; 90; 90 | 391.196 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 307-308 |
| 9009214 | CIF | Br Cl Hg | P 21 21 21 | 4.1; 13.17; 6.78 90; 90; 90 | 366.1 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 308-309 |
| 9009215 | CIF | H2 O | P 42/n m c :1 | 6.27; 6.27; 5.79 90; 90; 90 | 227.622 | Kamb, B. Structure of ice VI Science, 1965, 150, 205-209 |
| 9009216 | CIF | B15 H20 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 |
| 9009217 | CIF | Mg O3 Si | C m c m | 2.456; 8.042; 6.093 90; 90; 90 | 120.344 | Murakami, M.; Hirose, K.; Kawamura, K.; Sata, N.; Ohishi, Y. Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters Science, 2004, 304, 855-858 |
| 9009218 | CIF | O2 Si | P a -3 | 3.9299; 3.9299; 3.9299 90; 90; 90 | 60.694 | Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y. The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K Science, 2005, 309, 923-925 |
| 9009219 | CIF | Fe5 Si3 | P 63/m c m | 6.7416; 6.7416; 4.7079 90; 90; 120 | 185.304 | Weill, A. R. Structure of the eta phase of the iron-silicon system Nature, 1943, 152, 413-413 |
| 9009220 | CIF | Ca2 O14 Ti4 Zr2 | C 1 2/c 1 | 12.4458; 7.2734; 11.3942 90; 100.533; 90 | 1014.06 | Rossell, H. J. Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M Nature, 1980, 283, 282-283 |
| 9009221 | CIF | Al4 Fe21 H60 O110 P17 | P 63/m | 27.559; 27.559; 10.55 90; 90; 120 | 6939.21 | Moore P B; Shen J An X-ray structural study of cacoxenite, a mineral phosphate Nature, 1983, 306, 356-358 |
| 9009222 | CIF | O3 Tl2 | I a -3 | 10.5344; 10.5344; 10.5344 90; 90; 90 | 1169.04 | Otto, H. H.; Baltrusch, R.; Brant, H. J. Further evidence for Tl3+ in Tl-based superconductors from improved bond strength parameters involving new structural data of cubic Tl2O3 Physica C, 1993, 215, 205-208 |
| 9009223 | CIF | Ba2 Ca Cu2.13 Hg0.87 O6.64 | P 4/m m m | 3.8564; 3.8564; 12.682 90; 90; 90 | 188.604 | Finger, L. W.; Hazen, R. M.; Downs, R. T.; Meng, R. L.; Chu, C. W. Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1212 superconductor Physica C, 1994, 226, 216-221 |
| 9009224 | CIF | Ba2 Ca2 Cu3.18 Hg0.82 O12.13 | P 4/m m m | 3.842; 3.842; 15.832 90; 90; 90 | 233.696 | Finger, L. W.; Hazen, R. M.; Downs, R. T.; Meng, R. L.; Chu, C. W. Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1223 superconductor Physica C, 1994, 226, 216-221 |
| 9009225 | CIF | Fe1.98 Mg0.854 O4 Re0.166 | F d -3 m :2 | 8.4158; 8.4158; 8.4158 90; 90; 90 | 596.055 | Righter, K.; Downs, R. T. The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 111 Geophysical Research Letters, 2001, 28, 619-622 |
| 9009226 | CIF | Fe2.144 Mg0.78 O4 Re0.076 | F d -3 m :2 | 8.4055; 8.4055; 8.4055 90; 90; 90 | 593.869 | Righter, K.; Downs, R. T. The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 116 Geophysical Research Letters, 2001, 28, 619-622 |
| 9009227 | CIF | Fe1.665 Ir0.042 Mg1.063 O4 Ru0.23 | F d -3 m :2 | 8.4034; 8.4034; 8.4034 90; 90; 90 | 593.424 | Righter, K.; Downs, R. T. The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 115 Geophysical Research Letters, 2001, 28, 619-622 |
| 9009228 | CIF | Fe1.807 Mg1.039 O4 Os0.056 Rh0.1 | F d -3 m :2 | 8.3955; 8.3955; 8.3955 90; 90; 90 | 591.752 | Righter, K.; Downs, R. T. The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 117 Geophysical Research Letters, 2001, 28, 619-622 |
| 9009229 | CIF | Al1.16 F1.52 Fe0.02 H0.48 K Li1.63 Mg0.12 O10.48 Si4 | C 1 2/c 1 | 5.199; 9.026; 19.969 90; 95.41; 90 | 932.895 | Swanson, T. H.; Bailey, S. W. Redetermination of the lepidolite-2M_1 structure Clays and Clay Minerals, 1981, 29, 81-90 |
| 9009230 | CIF | Al2 H4 O9 Si2 | C 1 | 5.1554; 8.9448; 7.4048 91.7; 104.862; 89.822 | 329.893 | Bish, D. L.; Von Dreele, R. B. Rietveld refinement of non-hydrogen atomic positions in kaolinite Note: clay Clays and Clay Minerals, 1989, 37, 289-296 |
| 9009231 | CIF | Al2.364 Ca Fe9.14 H58 K0.567 Mg0.28 Mn11.06 O104.33 Si29.636 Zn0.14 | A 1 2/a 1 | 22.286; 16.386; 24.575 90; 94.355; 90 | 8948.35 | Heaney, P. J.; Post, J. E.; Evans, H. T. The crystal structure of bannisterite Clays and Clay Minerals, 1992, 40, 129-144 |
| 9009232 | CIF | Al2.352 Ca Fe2.9 H58 K0.76 Mg2.86 Mn12.44 O103.69 Si29.648 Zn2.02 | A 1 2/a 1 | 22.265; 16.368; 24.668 90; 94.285; 90 | 8964.72 | Heaney, P. J.; Post, J. E.; Evans, H. T. The crystal structure of bannisterite Clays and Clay Minerals, 1992, 40, 129-144 |
| 9009233 | CIF | Al1.2 Fe2.482 H10 Mg2.518 O18 Si3.8 | C -1 | 5.36982; 9.3031; 14.261 90.315; 97.234; 90.022 | 706.74 | Walker, J. R.; Bish, D. L. Application of Rietveld refinement techniques to a disordered IIb Mg-chamosite Locality: Lebanon, New Hampshire, USA Clays and Clay Minerals, 1992, 40, 319-322 |
| 9009234 | CIF | Al2 H4 O9 Si2 | C 1 | 5.1535; 8.9419; 7.3906 91.926; 105.046; 89.797 | 328.708 | Bish, D. L. Rietveld refinement of the kaolinite structure at 1.5 K Note: sample at T = 1.5 K Clays and Clay Minerals, 1993, 41, 738-744 |
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