Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9012700 | CIF | O Pb | P 4/n m m :1 | 3.9744; 3.9744; 5.022 90; 90; 90 | 79.327 | Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W. Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction; in the cryostat T = 295 K Locality: synthetic Journal of Solid State Chemistry, 1985, 57, 343-350 |
| 9012701 | CIF | O Pb | P 4/n m m :1 | 3.9744; 3.9744; 5.0219 90; 90; 90 | 79.325 | Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W. Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction; in the four-circle diffractometer T = 295 K Locality: synthetic Journal of Solid State Chemistry, 1985, 57, 343-350 |
| 9012702 | CIF | O Pb | P 4/n m m :1 | 3.9854; 3.9854; 5.0435 90; 90; 90 | 80.108 | Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W. Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 473 K Locality: synthetic Journal of Solid State Chemistry, 1985, 57, 343-350 |
| 9012703 | CIF | O Pb | P 4/n m m :1 | 3.9998; 3.9998; 5.0654 90; 90; 90 | 81.038 | Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W. Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: X-ray Diffraction T = 673 K Locality: synthetic Journal of Solid State Chemistry, 1985, 57, 343-350 |
| 9012704 | CIF | O Pb | P 4/n m m :1 | 4.0039; 4.0039; 5.0712 90; 90; 90 | 81.297 | Boher, P.; Garnier, P.; Gavarri, J. R.; Hewat, A. W. Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Locality: synthetic Method: X-ray Diffraction T = 723 K Journal of Solid State Chemistry, 1985, 57, 343-350 |
| 9012706 | CIF | Fe | F m -3 m | 3.639; 3.639; 3.639 90; 90; 90 | 48.189 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1189 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012707 | CIF | Fe | F m -3 m | 3.639; 3.639; 3.639 90; 90; 90 | 48.189 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1196 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012708 | CIF | Fe | F m -3 m | 3.642; 3.642; 3.642 90; 90; 90 | 48.308 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1223 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012709 | CIF | Fe | F m -3 m | 3.652; 3.652; 3.652 90; 90; 90 | 48.707 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1347 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012710 | CIF | Fe | F m -3 m | 3.662; 3.662; 3.662 90; 90; 90 | 49.108 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1457 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012711 | CIF | Fe | F m -3 m | 3.671; 3.671; 3.671 90; 90; 90 | 49.471 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1565 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012712 | CIF | Fe | F m -3 m | 3.677; 3.677; 3.677 90; 90; 90 | 49.714 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1635 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012713 | CIF | Fe | F m -3 m | 3.679; 3.679; 3.679 90; 90; 90 | 49.795 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1653 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012714 | CIF | Fe | F m -3 m | 3.679; 3.679; 3.679 90; 90; 90 | 49.795 | Basinski, Z. S.; Hume-Rothery W; Sutton, A. L. The lattice expansion of iron Sample: at T = 1661 K Proceedings of the Royal Society of London A, 1955, 229, 459-467 |
| 9012715 | CIF | Cu2 H3 N O6 | P 21 21 21 | 6.087; 13.813; 5.597 90; 90; 90 | 470.594 | Bovio, B.; Locchi, S. Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3 Journal of Crystallographic and Spectroscopic Research, 1982, 12, 507-517 |
| 9012716 | CIF | F Mg2 O4 P | P 1 21/c 1 | 9.644; 12.679; 11.957 90; 108.3; 90 | 1388.11 | Coda, A.; Giuseppetti, G.; Tadini, C.; Carobbi, S. G. The crystal structure of wagnerite Atti della Accademia Nazionale dei Lincei, 1967, 43, 212-224 |
| 9012717 | CIF | As Ni0.808 Pd1.192 | P -6 2 c | 6.3165; 6.3165; 7.4278 90; 90; 120 | 256.652 | Evstigneeva, T.; Kabalov, Y.; Schneider, J. Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As Materials Science Forum, 2000, 321, 700-705 |
| 9012718 | CIF | K2 O8 Pb S2 | R -3 m :H | 5.497; 5.497; 20.864 90; 90; 120 | 545.984 | Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A. X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2 Powder Diffraction, 2001, 16, 92-97 |
| 9012719 | CIF | Ca5 F O12 S1.5 Si1.5 | P 63/m | 9.44174; 9.44174; 6.93964 90; 90; 120 | 535.762 | Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G. Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic Powder Diffraction, 2002, 17, 281-286 |
| 9012721 | CIF | Al0.828 Ca0.156 Fe0.772 Mg2.254 Mn3.1 Na2.624 O24 P6 | P 1 21/n 1 | 11.856; 12.411; 6.421 90; 114.45; 90 | 860.088 | Zhesheng, M.; Nicheng, S.; Zhizhong, P. Crystal structure of a new phosphatic mineral-qingheiite Locality: Northwestern Qinghe County, Altay Prefecture, Uygur Autonomous Region, Xinjiang Note: changed P3(z) to match reported bond distances Scientia Sinica, Series B, 1983, 26, 876-884 |
| 9012722 | CIF | Cs | F m -3 m | 6.465; 6.465; 6.465 90; 90; 90 | 270.213 | Weir, C. E.; Piermarini, G. J.; Block, S. On the crystal structures of Cs II and Ga II Sample: at room T Note: known as cesium-II Journal of Physical Chemistry, 1971, 54, 2768-2770 |
| 9012723 | CIF | Ga | I 4/m m m | 2.808; 2.808; 4.458 90; 90; 90 | 35.151 | Weir, C. E.; Piermarini, G. J.; Block, S. On the crystal structures of Cs II and Ga II Sample: at P > .002 GPa & room T Note: known as gallium-II Journal of Physical Chemistry, 1971, 54, 2768-2770 |
| 9012724 | CIF | Si | F m -3 m | 3.34; 3.34; 3.34 90; 90; 90 | 37.26 | Duclos, S. J.; Vohra, Y. K.; Ruoff, A. L. hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa Sample: at P = 87 GPa Note: fcc structure stable above 78 GPa Physical Review Letters, 1987, 58, 775-777 |
| 9012725 | CIF | Cs | P 63/m m c | 3.011; 3.011; 4.855 90; 90; 90 | 44.016 | Takemura, K.; Shimomura, O.; Fujihisa, H. Cs(VI): a new high-pressure polymorph of cesium above 72 GPa Sample: at P = 92 GPa Note: stable above P = 72 GPa Note: known as cesium-VI Physical Review Letters, 1991, 66, 2014-2017 |
| 9012726 | CIF | Sr | F m -3 m | 6.076; 6.076; 6.076 90; 90; 90 | 224.312 | Hirst, R. G.; King, A. J.; Kanda, F. A. The barium-strontium equilibrium system Sample: at T = 25 C note: known as alpha-strontium Journal of Physical Chemistry, 1956, 60, 302-304 |
| 9012727 | CIF | Sr | I m -3 m | 4.87; 4.87; 4.87 90; 90; 90 | 115.501 | Hirst, R. G.; King, A. J.; Kanda, F. A. The barium-strontium equilibrium system Sample: at T = 628 C note: known as beta-strontium Journal of Physical Chemistry, 1956, 60, 302-304 |
| 9012728 | CIF | Sr | P 63/m m c | 4.28; 4.28; 7.05 90; 90; 120 | 111.843 | Hirst, R. G.; King, A. J.; Kanda, F. A. The barium-strontium equilibrium system Sample: at T = 225 C note: known as gamma-strontium Journal of Physical Chemistry, 1956, 60, 302-304 |
| 9012729 | CIF | Ba | I m -3 m | 5.013; 5.013; 5.013 90; 90; 90 | 125.978 | Hirst, R. G.; King, A. J.; Kanda, F. A. The barium-strontium equilibrium system Sample: at T = 25 C Journal of Physical Chemistry, 1956, 60, 302-304 |
| 9012730 | CIF | Ca | P 63/m m c | 4; 4; 6.5 90; 90; 120 | 90.067 | Schottmiller, J. C.; King, A. J.; Kanda, F. A. The calcium-strontium metal phase system Sample: at T = 415 C Journal of Physical Chemistry, 1958, 62, 1446-1449 |
| 9012731 | CIF | Ca | F m -3 m | 5.601; 5.601; 5.601 90; 90; 90 | 175.71 | Schottmiller, J. C.; King, A. J.; Kanda, F. A. The calcium-strontium metal phase system Sample: at T = 25 C Journal of Physical Chemistry, 1958, 62, 1446-1449 |
| 9012732 | CIF | Ca | I m -3 m | 4.488; 4.488; 4.488 90; 90; 90 | 90.398 | Schottmiller, J. C.; King, A. J.; Kanda, F. A. The calcium-strontium metal phase system Sample: at T = 615 C Journal of Physical Chemistry, 1958, 62, 1446-1449 |
| 9012733 | CIF | D2 O | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 7 K, host lattice Note: y(D7) corrected Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012734 | CIF | D2 O | F d -3 m :2 | 17.109; 17.109; 17.109 90; 90; 90 | 5008.11 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 75 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012735 | CIF | D2 O | F d -3 m :2 | 17.15; 17.15; 17.15 90; 90; 90 | 5044.2 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 140 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012736 | CIF | D2 O | F d -3 m :2 | 17.198; 17.198; 17.198 90; 90; 90 | 5086.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 205 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012737 | CIF | D2 O | F d -3 m :2 | 17.262; 17.262; 17.262 90; 90; 90 | 5143.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 265 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012738 | CIF | C0.333 H0.667 O0.083 | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: cell T = 7 K, positions T = 5 K, guest molecule Note: occupancies of C11 and H14 switched to reproduce reported formula Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012739 | CIF | O6 Sb2 Zn | P 42/m n m | 4.66; 4.66; 9.24 90; 90; 90 | 200.652 | Bystrom, A.; Hok, B.; Mason, B. The crystal structure of zinc metantimonate and similar compounds Arkiv for Kemi, Mineralogi och Geologi,, 1942, 1-8 |
| 9012740 | CIF | Cu O6 Sb2 | P 1 21/c 1 | 4.62; 4.62; 9.28 90; 88.5; 90 | 198.008 | Bystrom, A.; Hok, B.; Mason, B. The crystal structure of zinc metantimonate and similar compounds Arkiv for Kemi, Mineralogi och Geologi,, 1942, 1-8 |
| 9012741 | CIF | K O6 U V | P 1 21/c 1 | 6.59; 8.403; 10.43 90; 104.2; 90 | 559.922 | Sundberg, I.; Sillen, L. G. On the crystal structure of KUO2VO4 (synthetic anhydrous carnotite) Arkiv for Kemi, 1949, 1, 337-351 |
| 9012742 | CIF | Ca O10 S6 Sb10 | C 1 2/c 1 | 25.33; 5.655; 16.88 90; 117.51; 90 | 2144.52 | Nakai, I.; Koto, K.; Nagashima, K.; Morimoto, N. The crystal structure of sarabauite CaSb10O10S6, a new oxide sulfide mineral Chemistry Letters, 1977, 1977, 275-276 |
| 9012743 | CIF | Be4 Ca3 K2 Li0.25 Na3.75 O38 Si12 Ti2 | F d d d :2 | 14.243; 13.045; 33.4839 90; 90; 90 | 6221.31 | Rastsvetaeva, R. K.; Evsyunin, V. G.; Kashaev, A. A. Crystal structure of a new representative of ring silicates Doklady Chemistry, 1995, 340, 49-51 |
| 9012744 | CIF | Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5 | R 3 2 :H | 10.696; 10.696; 15.728 90; 90; 120 | 1558.29 | Rastsvetaeva, R. K.; Khomyakov, A. P. Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the hilairite group: crystal structure Doklady Chemistry, 1996, 351, 283-286 |
| 9012745 | CIF | H1.23 K0.875 Na0.43 Nb0.3 O7.89 Si2 Ti0.7 | C 1 2/m 1 | 14.39; 13.9; 7.825 90; 117.6; 90 | 1387.05 | Rastsvetaeva, R. K.; Arakcheeva, A. V.; Khomyakov, A. P. Crystal structure and microtwinning of a new monoclinic analog of nenadkevichite Doklady Chemistry, 1996, 351, 294-297 |
| 9012746 | CIF | Al0.745 Cu F0.73 H4.5 O4 | C 1 2/m 1 | 12.326; 2.907; 10.369 90; 97.9; 90 | 368.013 | Rastsvetaeva, R. K.; Chukanov, N. V.; Karpenko, V. Y. Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2 Doklady Chemistry, 1997, 353, 45-48 |
| 9012747 | CIF | Ba0.033 Ca6.333 Ce0.468 Cl1.6 Fe2.55 H7.38 K0.249 Mn1.188 Na12 Nb0.8 O81.18 Si25.2 Sr0.717 Ti0.06 Y0.132 Zr3.27 | R 3 m :H | 14.262; 14.262; 29.949 90; 90; 120 | 5275.62 | Ekimenkova, I. A.; Rastsvetaeva, R. K.; Khomyakov, A. P. Crystal structure of the Fe,Cl-analogue of kentbrooksite Doklady Chemistry, 2000, 370, 17-20 |
| 9012748 | CIF | Ba0.08 Fe0.02 H11.94 K0.44 Na1.09 Nb1.8 O32.44 Si8 Sr0.2 Ti2.2 | C 1 m 1 | 14.604; 14.274; 7.933 90; 117.4; 90 | 1468.17 | Rastsvetaeva, R. K.; Organova, N. I.; Rozhdestvenskaya, I. V.; Shlyukova, Z. V.; Chukanov, N. V. Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group from Khibiny massif Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia Doklady Chemistry, 2000, 371, 52-56 |
| 9012749 | CIF | Ca3.3 Ce0.498 Cl0.26 Fe2.1 H14.43 K0.3 Mn1.398 Na9.63 Nb0.1 O79.16 Si24.3 Sr0.504 Ti0.1 Zr3.399 | R 3 m :H | 14.167; 14.167; 30.081 90; 90; 120 | 5228.52 | Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Khasanov, S. S. Crystal structure of an oxonium-containing analogue of eudialyte Doklady Chemistry, 2000, 371, 65-69 |
| 9012750 | CIF | Al0.2 Ca3.708 Ce0.3 Cl Fe2.199 H3.537 Hf0.099 K0.201 Mg0.15 Mn0.9 Na15.591 Nb0.2 O76.6 Si25.3 Sr0.201 Ti0.15 Zr3.801 | R 3 :H | 14.229; 14.229; 30.019 90; 90; 120 | 5263.51 | Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3 Locality: Lovozero massif, Kola Peninsula, Russia Doklady Chemistry, 2000, 374, 195-198 |
| 9012751 | CIF | Ca H12 O17 Si2 U2 | P 1 1 21/b | 6.67; 15.92; 6.985 90; 90; 97.3 | 735.7 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Pushcharovsky, D. Y. Crystal structure of high-symmetry alpha-uranophane Doklady Chemistry, 2001, 378, 122-124 |
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