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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014432 | CIF | Cr2 O3 | R -3 c :H | 4.8645; 4.8645; 13.355 90; 90; 120 | 273.685 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014433 | CIF | Al3 Na3 O13.8 Si3 | P n a 21 | 16.426; 15.014; 5.2235 90; 90; 90 | 1288.22 | Hansen, S.; Faelth, L. X-ray study of the nepheline hydrate I structure Zeolites, 1982, 2, 162-166 |
| 9014434 | CIF | Hg I2 | P 42/n m c :2 | 4.359; 4.359; 12.319 90; 90; 90 | 234.072 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 60 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014436 | CIF | O2 Si | P 41 21 2 | 4.632; 4.632; 6.209 90; 90; 90 | 133.217 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.3 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9014438 | CIF | B H3 Mg3 O6 | P 63/m | 8.924; 8.924; 3.116 90; 90; 120 | 214.905 | Rudnev, V. V.; Chukanov, N. V.; Nechelyustov, G. N.; Yamnova, N. A. Hydroxylborite, Mg3(BO3)(OH)3, a new mineral species and isomorphous series fluoborite-hydroxylborite series Geology of Ore Deposits, 2007, 49, 710-719 |
| 9014439 | CIF | As B Ba O5 | P 31 | 7.2666; 7.2666; 7.1063 90; 90; 120 | 324.965 | Park, C. H.; Bluhm, K. Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2 Zeitschrift fur Naturforschung B, 1996, 51, 722-726 |
| 9014440 | CIF | C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 | P 63 | 12.606; 12.606; 5.118 90; 90; 120 | 704.345 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014441 | CIF | Fe1.656 H4 Mg0.537 Mn1.854 O9 Si0.953 | P 63 | 5.5472; 5.5472; 14.296 90; 90; 120 | 380.972 | Wahle, M. W.; Bujnowski, T. J.; Guggenheim, S.; Kogure, T. Guidottiite, the Mn-analogue of cronstedtite: A new serpentine-group mineral from South Africa Clays and Clay Minerals, 2010, 58, 364-376 |
| 9014442 | CIF | O6 Ta Ti Tm | P b c n | 14.5706; 5.5339; 5.1832 90; 90; 90 | 417.933 | 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 |
| 9014443 | CIF | Ca2.907 O12 Si3 V1.934 | I a -3 d | 12.079; 12.079; 12.079 90; 90; 90 | 1762.35 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R090043 American Mineralogist, 2011, 96, 1278-1290 |
| 9014447 | CIF | Mg O3 Si | P b c a | 17.916; 8.59; 5.0726 90; 90; 90 | 780.665 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014448 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5195; 11.5195; 11.5195 90; 90; 90 | 1528.62 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 873.1 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014449 | CIF | Al7.335 B3 Ca0.688 F0.73 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003 | R 3 m :H | 15.8293; 15.8293; 7.1003 90; 90; 120 | 1540.74 | 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: L18, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014450 | CIF | Fe2.38 Mg0.17 O4 Si0.45 | I m m a | 5.8448; 17.9749; 8.3771 90; 90; 90 | 880.096 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668 |
| 9014451 | CIF | H0.066 Na1.934 O7 Si2 Zr | P -1 | 6.617; 8.813; 5.426 87.26; 85.68; 71.75 | 299.553 | Pekov, I. V.; Zubkova, N. V.; Pushcharovsky, D. Y.; Kolitsch, U.; Tillmanns, E. Refined crystal structure of parakeldyshite and genetic crystal chemistry of zirconium minerals with [Si2O7] diorthogroups Crystallography Reports, 2007, 52, 1066-1071 |
| 9014452 | CIF | La0.1 Nb2 O6 Sr0.9 | P n m a | 11.018; 7.672; 5.575 90; 90.25; 90 | 471.251 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9014453 | CIF | C4 H46 O23 | P m -3 n | 11.821; 11.821; 11.821 90; 90; 90 | 1651.82 | Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S. The structure of deuterated methane-hydrate Note: T = 2 K Journal of Chemical Physics, 2000, 113, 4713-4721 |
| 9014454 | CIF | Fe | F m -3 m | 3.551; 3.551; 3.551 90; 90; 90 | 44.777 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 12.71 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014456 | CIF | Al4.8 B3.12 Ca0.62 Fe1.98 H3.6 Mg2.04 Na0.4 O31 Si5.77 Ti0.28 | R 3 m :H | 16; 16; 7.248 90; 90; 120 | 1606.9 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Feruvite 53776 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9014457 | CIF | Al1.61 Fe0.389 Mg0.999 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 550 C Annealing time = 360 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014458 | CIF | Al7.251 B3 Ca0.638 F0.668 Fe0.132 H3.332 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.332 Pb0.006 Si6 Ti0.006 | R 3 m :H | 15.8399; 15.8399; 7.103 90; 90; 120 | 1543.4 | 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: L21, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014459 | CIF | B24 Ca6.16 Ce1.11 Dy0.042 Er0.015 Eu0.057 Gd0.042 H14.6 Ho0.015 La0.663 Na0.84 Nd0.534 O53 Pr0.144 Sm0.144 Tb0.015 Y0.216 | P 6/m | 12.1506; 12.1506; 7.3678 90; 90; 120 | 942.028 | Rowland, C. E.; Cahill, C. L.; Post, J. E. The structure of braitschite, a calcium rare earth borate American Mineralogist, 2011, 96, 197-201 |
| 9014460 | CIF | Ca2.354 F O12 P3 Pb2.646 | P 63/m | 9.6402; 9.6402; 7.0121 90; 90; 120 | 564.353 | Kampf, A. R.; Housley, R. M. Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral with essential Pb and F American Mineralogist, 2011, 96, 423-429 |
| 9014462 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.306 90; 90; 90 | 233.718 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 30 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014463 | CIF | Mg1.88 O4 Si0.95 | F d -3 m :2 | 8.1279; 8.1279; 8.1279 90; 90; 90 | 536.951 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K American Mineralogist, 2012, 97, 573-582 |
| 9014464 | CIF | Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model American Mineralogist, 2012, 97, 989-994 |
| 9014465 | CIF | Al1.457 Fe0.541 Mg O4 | F d -3 m :2 | 8.1712; 8.1712; 8.1712 90; 90; 90 | 545.579 | 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 650 C Annealing time = 1533 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014466 | CIF | Ca O3 Sn | P b n m | 5.4952; 5.6486; 7.8561 90; 90; 90 | 243.855 | 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 = 1.50 GPa Physics and Chemistry of Minerals, 2004, 31, 299-305 |
| 9014467 | CIF | Al6.41 B3.1 Ca0.04 F0.74 Fe2.53 H1.35 Mg0.06 Na0.88 O30.26 Si5.83 Ti0.07 | R 3 m :H | 15.874; 15.874; 7.196 90; 90; 120 | 1570.34 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Buergerite 43293 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9014471 | CIF | Mg1.94 O4 Si | F d -3 m :2 | 8.0756; 8.0756; 8.0756 90; 90; 90 | 526.653 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K American Mineralogist, 2012, 97, 573-582 |
| 9014472 | CIF | Al3.6 Ca1.76 H19.74 O33.87 Si8.4 | R -3 m :R | 9.401; 9.401; 9.401 94.39; 94.39; 94.39 | 823.139 | Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F. Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged Zeolites, 1982, 2, 303-309 |
| 9014473 | CIF | Cl6 H10.02 Mg2 O18.02 Pb14 | P m m 2 | 5.8034; 11.3574; 12.9393 90; 90; 90 | 852.849 | Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J. Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral Mineralogical Magazine, 2012, 76, 59-73 |
| 9014474 | CIF | C Fe3 | P b n m | 4.514; 5.078; 6.729 90; 90; 90 | 154.243 | Meinhardt, D.; Krisement, O. Strukturuntersuchungen an Karbiden des Eisens, Wolframs und Chroms mit thermischen Neutronen Archiv fur das Eisenhuettenwesen, 1962, 33, 493-499 |
| 9014475 | CIF | O7 Pb2 V2 | P 1 21/a 1 | 13.3689; 7.1607; 7.1027 90; 105.935; 90 | 653.819 | Shannon, R. D.; Calvo, C. Refinement of the crystal structure of synthetic chervetite, Pb2V2O7 Canadian Journal of Chemistry, 1973, 51, 70-76 |
| 9014476 | CIF | Fe | F m -3 m | 3.595; 3.595; 3.595 90; 90; 90 | 46.462 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014477 | CIF | Al4 Ca2 H10 O21 Si4 | C 1 2/c 1 | 21.5474; 8.75638; 9.30578 90; 91.5524; 90 | 1755.14 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature American Mineralogist, 2012, 97, 1866-1873 |
| 9014478 | CIF | Li Nb3 O8 | P 1 21/c 1 | 7.459; 5.034; 15.27 90; 107.33; 90 | 547.339 | Gatehouse, B. M.; Leverett, P. Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite Crystal Structure Communications, 1972, 1, 83-86 |
| 9014480 | CIF | H12 O10 S Zn | C 1 2/c 1 | 9.981; 7.25; 24.28 90; 98.45; 90 | 1737.88 | Spiess, M.; Gruehn, R. Zur thermischen Dehydratisierung des ZnSO4*7H2O und zum Hochtemperaturverhalten von wasserfreiem ZnSO4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1979, 456, 222-240 |
| 9014481 | CIF | Al4 B4 Ca1.21 Cs0.07 K0.72 Na0.79 O18 Si2 | P 1 21/n 1 | 4.8507; 16.6156; 20.5445 90; 90.245; 90 | 1655.82 | Callegari, A. M.; Boiocchi, M.; Bellatreccia, F.; Caprilli, E.; Medenbach, O.; Cavallo, A. Capranicaite, (K,_)(Ca,Na)Al4B4Si2O18: a new inosilicate from Capranica, Italy, with a peculiar topology of the periodic single chain [Si2O6] Mineralogical Magazine, 2011, 75, 33-43 |
| 9014483 | CIF | Na Nb O3 | P b m a | 5.5625; 15.5495; 5.5138 90; 90; 90 | 476.911 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014485 | CIF | Bi2 Pb3 S6 | B b m m | 13.353; 20.367; 4.0615 90; 90; 90 | 1104.57 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 1.95 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014486 | CIF | O2 Si | P 41 21 2 | 4.682; 4.682; 6.311 90; 90; 90 | 138.344 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 5.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9014487 | CIF | Al0.22 Ca2.778 Cr0.07 Mn0.129 O12 Si3 V1.62 | I a -3 d | 12.0276; 12.0276; 12.0276 90; 90; 90 | 1739.95 | Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V. The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R061138 American Mineralogist, 2011, 96, 1278-1290 |
| 9014489 | CIF | C H Gd O4 | P 21 21 21 | 7.0755; 4.8739; 8.4471 90; 90; 90 | 291.301 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014492 | CIF | Ba O3 Ti | A m m 2 | 3.9828; 5.6745; 5.6946 90; 90; 90 | 128.7 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 190 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014494 | CIF | Fe5 Si3 | P 63/m c m | 6.6496; 6.6496; 4.638 90; 90; 120 | 177.604 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 14.4 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014495 | CIF | Ca3 O25 S2 Si | P 63 | 11.106; 11.106; 10.492 90; 90; 120 | 1120.74 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
| 9014496 | CIF | Al1.36 Fe0.784 H1.478 K Mg2.216 O12 Si2.64 | C 1 2/m 1 | 5.3388; 9.2464; 10.2365 90; 100.037; 90 | 497.588 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_5n American Mineralogist, 2010, 95, 1458-1466 |
| 9014497 | CIF | Fe0.18 Li0.76 Mn0.8 O4 P | P b n m | 4.767; 10.403; 6.072 90; 90; 90 | 301.117 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 4, orange The Canadian Mineralogist, 2012, 50, 843-854 |
| 9014498 | CIF | Sm | R -3 m :R | 8.996; 8.996; 8.996 23.22; 23.22; 23.22 | 99.346 | Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H. The crystal structure of samarium Note: sample 99% pure Acta Crystallographica, 1954, 7, 532-535 |
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