Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015925 | CIF | C H O4 Yb | P 42/n m c :2 | 9.3771; 9.3771; 7.7117 90; 90; 90 | 678.09 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015926 | CIF | Eu O6 Ta2 | P n m a | 11.02; 7.64; 5.61 90; 90; 90 | 472.322 | Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G. Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6 Zeitschrift fur Kristallographie, 1996, 211, 547-548 |
| 9015928 | CIF | Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012 | R 3 m :H | 15.8472; 15.8472; 7.0988 90; 90; 120 | 1543.91 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 American Mineralogist, 2004, 89, 447-454 |
| 9015929 | CIF | O2 Ti | I 41/a m d :1 | 3.7845; 3.7845; 9.5143 90; 90; 90 | 136.268 | Howard, C. J.; Sabine, T. M.; Dickson, F. Structural and thermal parameters for rutile and anatase Acta Crystallographica, Section B, 1991, 47, 462-468 |
| 9015930 | CIF | Al1.457 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015935 | CIF | Cs2 H4 O25 Se5 U4 | P 1 21/n 1 | 10.913; 12.427; 18.448 90; 90.393; 90 | 2501.78 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 6 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9015938 | CIF | Ce H2 O5 P | P 31 2 1 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9015939 | CIF | Al3.396 Ca1.568 H24.942 Na0.492 O36.471 Si8.556 | R -3 m :R | 9.3943; 9.3943; 9.3943 94.369; 94.369; 94.369 | 821.455 | Nakatsuka, A.; Okada, H.; Fujiwara, K.; Nakayama, N.; Mizota, T. Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite) Microporous and Mesoporous Materials, 2007, 102, 188-195 |
| 9015940 | CIF | Al0.66 As0.48 B3 Ca3.15 F11.16 Fe0.27 Mn0.03 Na0.27 O39.64 P0.05 Si6.69 Sm7.71 Y4.38 | R 3 m :H | 10.675; 10.675; 27.02 90; 90; 120 | 2666.56 | Raade, G.; Johnsen, O.; Erambert, M.; Petersen, O. V. Hundholmenite-(Y) from Norway - a new mineral species in the vicanite group: descriptive data and crystal structure Mineralogical Magazine, 2007, 71, 179-192 |
| 9015942 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9596; 7.9644; 5.7416 90; 90; 90 | 226.795 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015946 | CIF | Al1.608 Fe0.389 Mg1.003 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015949 | CIF | Al Ca0.5 O4 Si | P 1 21 1 | 8.22; 8.951; 4.828 90; 90; 90 | 355.231 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description The Canadian Mineralogist, 2012, 50, 585-592 |
| 9015950 | CIF | O4 Pb W | I 41/a :2 | 5.456; 5.456; 12.02 90; 90; 90 | 357.811 | Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V. Structural characterization of PbWO4 and related new phase Pb7W8O(32-x) Note: scheelite structure Journal of Alloys and Compounds, 1996, 238, 46-48 |
| 9015955 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3549; 14.541; 5.5524 90; 90; 90 | 432.341 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 3.729 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015956 | CIF | Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3 American Mineralogist, 2004, 89, 447-454 |
| 9015957 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.36; 8.198; 9.93 90; 113.92; 90 | 1068.59 | Clark, J. R. Boron-oxygen polyanion in the crystal structure of tunellite Science, 1963, 141, 1178-1179 |
| 9015958 | CIF | Cl H9 Mn8 O24 Si6 | P -3 m 1 | 13.37; 13.37; 7.11 90; 90; 120 | 1100.69 | Kashaev, A. A. The crystal structure of pyrosmalite Soviet Physics Crystallography, 1968, 12, 923-924 |
| 9015959 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1353; 5.5062; 9.9432 90; 90; 90 | 883.396 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 2.945 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015960 | CIF | C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 | P c c n | 8.9391; 9.4694; 16.9374 90; 90; 90 | 1433.72 | Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T. Lanthanite-(Nd), Nd2(CO3)3*8H2O Acta Crystallographica, Section E, 2013, 69, i15-i16 |
| 9015962 | CIF | C Fe O3 | R -3 c :H | 4.364; 4.364; 12.66 90; 90; 120 | 208.802 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P22, P = 49.2 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015963 | CIF | Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9015964 | CIF | Fe2 O3 | R -3 c :H | 5.0346; 5.0346; 13.7473 90; 90; 120 | 301.771 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9015965 | CIF | Cl5 K Pb2 | P 1 21/c 1 | 8.864; 7.932; 12.491 90; 90.153; 90 | 878.23 | Schluter, J.; Pohl, D.; Britvin, S. The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material Neues Jahrbuch fur Mineralogie, Abhandlungen, 2005, 182, 95-101 |
| 9015967 | CIF | Cr H2 O2 | P n n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
| 9015968 | CIF | B Nd O5 Si | P 31 2 1 | 6.8035; 6.8035; 6.6487 90; 90; 120 | 266.521 | Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H. Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5 Journal of Alloys and Compounds, 1997, 259, 163-169 |
| 9015969 | CIF | C Ca O3 | P m c n | 4.9644; 8.0057; 5.7805 90; 90; 90 | 229.737 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 218 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9015970 | CIF | Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 | C 1 2/c 1 | 9.027; 5.1999; 20.616 90; 100.113; 90 | 952.67 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4 American Mineralogist, 2012, 97, 1460-1468 |
| 9015971 | CIF | Al1.608 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015974 | CIF | Mg39 O120 Si28 | P 1 | 35.02; 9.23; 7.89 112.94; 90; 90 | 2348.62 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457 |
| 9015975 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.127; 7.438; 6.799 90; 102.43; 90 | 351.971 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9015977 | CIF | K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.065 | Dadachov, M.; Le Bail, A. Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390 |
| 9015978 | CIF | Fe Ge2 Li O6 | C 1 2/c 1 | 9.457; 8.69; 5.113 90; 101.41; 90 | 411.889 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 6.04 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015979 | CIF | Na Nb O3 | R -3 :H | 5.335; 5.335; 15.611 90; 90; 120 | 384.796 | Kumada, N.; Kinomura, N.; Muto, F. Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~ Journal of the Ceramic Society of Japan, 1990, 98, 384-388 |
| 9015981 | CIF | Ca O8 Ti Zr2.5 | I 41/a c d :2 | 15.2203; 15.2203; 10.1224 90; 90; 90 | 2344.93 | Rossell, H. J. Calzirtite - A fluorite-related superstructure Acta Crystallographica, Section B, 1982, 38, 593-595 |
| 9015983 | CIF | B H O2 | P b n m | 8.019; 9.703; 6.13 90; 90; 90 | 476.965 | Peters, C. R.; Milberg, M. E. The refined structure of orthorhombic metaboric acid Note T = -130 C Acta Crystallographica, 1964, 17, 229-234 |
| 9015984 | CIF | Ca2 Fe2 H O15 Si5 | P -1 | 12.234; 6.707; 7.682 93.97; 111.53; 85.25 | 583.826 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015985 | CIF | Fe1.001 Nb0.13 O6 Ta1.869 | P 42/m n m | 4.7509; 4.7509; 9.2811 90; 90; 90 | 209.484 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q3, treated at 600 C for 50 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015986 | CIF | As H6 K O9 U | P 4/n c c :2 | 7.176; 7.176; 18.126 90; 90; 90 | 933.398 | Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O American Mineralogist, 1964, 49, 1578-1602 |
| 9015987 | CIF | Al7.224 B3 Ca0.636 F0.709 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003 | R 3 m :H | 15.8363; 15.8363; 7.104 90; 90; 120 | 1542.91 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L7, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015988 | CIF | C1.083 H5.48 Mg2 N0.136 O11.376 Si3 | P n c n | 13.271; 27.072; 5.2748 90; 90; 90 | 1895.09 | Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue European Journal of Mineralogy, 2011, 23, 449-466 |
| 9015989 | CIF | Al2 H4 Mg2 O9 Si | C 1 | 5.299; 9.181; 14.05 90.06; 90.3; 90 | 683.524 | Zheng, H.; Bailey, S. W. Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1 Clays and Clay Minerals, 1997, 45, 301-310 |
| 9015992 | CIF | Ca O3 Sn | P b n m | 5.5043; 5.6558; 7.8687 90; 90; 90 | 244.962 | Zhao, J.; Ross, N. L.; Angel, R. J. Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.738 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9015995 | CIF | As Co0.01 Ni0.97 S0.02 | P 63 m c | 3.619; 3.619; 5.036 90; 90; 120 | 57.121 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample MP511 Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9015996 | CIF | Al7.308 B3 Ca0.691 F0.679 Fe0.054 H3.321 Li1.611 Mg0.003 Mn0.024 Na0.234 O30.321 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8303; 15.8303; 7.1017 90; 90; 120 | 1541.24 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L20, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015997 | CIF | C Fe O3 | R -3 c :H | 4.367; 4.367; 12.74 90; 90; 120 | 210.41 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P21, P = 47.49 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015998 | CIF | K Mn2 O24 P5 | P 1 21/a 1 | 14.546; 15.211; 9.86 90; 105.12; 90 | 2106.09 | Schuelke, U.; Averbuch-Pouchot M Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K2Mn4P10O30*18H2O _cod_database_code 1008657 Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 545-550 |
| 9016000 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39675; 7.39675; 15.8465 90; 90; 90 | 866.992 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016003 | CIF | Cl1.45 Pb3.45 S6.55 Sb2.55 | P b a m | 15.194; 23.035; 4.0591 90; 90; 90 | 1420.66 | Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Guillot-Deudon C Crystal structure of the new compound Pb3+xSb3 xS7 xCl1+x(x~0.45): The homologous series Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN and its polychalcogenide derivatives (N = 1-3) Journal of Solid State Chemistry, 2008, 181, 920-934 |
| 9016004 | CIF | Al1.61 Fe0.391 Mg1.001 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016006 | CIF | Ce O6 Ta Ti | P n m a | 10.9694; 7.5288; 5.3829 90; 90; 90 | 444.554 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
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