Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 9014499 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1478; 8.1478; 8.1478 90; 90; 90 | 540.905 | 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 = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014500 | CIF | Al2 Ca0.04 H4 O10 Si2 Sr0.96 | P 1 21/m 1 | 5.4194; 13.2737; 5.8575 90; 124.42; 90 | 347.588 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU88 American Mineralogist, 2010, 95, 724-735 |
| 9014501 | CIF | Mg2 O4 Si | I m m a | 5.7391; 11.5134; 8.335 90; 90; 90 | 550.748 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K American Mineralogist, 2012, 97, 1582-1590 |
| 9014502 | CIF | C3 H2 K2.463 Na1.537 O12 U | P -6 2 c | 9.2507; 9.2507; 8.1788 90; 90; 120 | 606.135 | Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P. The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A Mineralogical Magazine, 2012, 76, 443-453 |
| 9014503 | CIF | C H2 Al Na O5 | I m m a | 6.759; 5.585; 10.425 90; 90; 90 | 393.533 | Corazza, E.; Sabelli, C.; Vannucci, S. Dawsonite: new mineralogical data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1977, 1977, 381-397 |
| 9014504 | CIF | As2 Ca H4 O8 | P -1 | 8.558; 7.697; 5.721 92.583; 109.867; 109.983 | 327.494 | Chiari, G.; Ferraris, G. The crystal structure of calcium dihydrogen arsenate, Ca(H2AsO4)2 Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, 1971, 105, 725-743 |
| 9014505 | CIF | O3 Ti1.67 | P b c a | 9.781; 9.778; 9.815 90; 90; 90 | 938.693 | Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W. Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD American Mineralogist, 2012, 97, 1219-1225 |
| 9014506 | CIF | Ba0.821 Cu O10 Si4 Sr0.179 | P 4/n c c :2 | 7.41932; 7.41932; 16.0402 90; 90; 90 | 882.954 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014507 | CIF | H47.64 Mg Na4 O51.82 V10 | P -1 | 9.0425; 11.3303; 11.7353 105.222; 97.377; 100.791 | 1119.46 | Colombo, F.; Baggio, R.; Kampf, A. R. The crystal structure of the elusive huemulite The Canadian Mineralogist, 2011, 49, 849-864 |
| 9014508 | CIF | Al2 Co0.25 Mg0.75 O4 | F d -3 m :2 | 8.0875; 8.0875; 8.0875 90; 90; 90 | 528.984 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl14 American Mineralogist, 2012, 97, 1834-1840 |
| 9014509 | CIF | Al0.68 H0.68 O2 Si0.32 | P b n m | 4.72318; 8.9148; 2.77276 90; 90; 90 | 116.75 | Kanzaki, M. Crystal structure of a new high-pressure polymorph of topaz-OH P = 14 GPa, T = 1400 C American Mineralogist, 2010, 95, 1349-1352 |
| 9014510 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.17; 8.17; 8.17 90; 90; 90 | 545.339 | 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 = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014511 | CIF | Al2 Co0.76 Mg0.25 O4 | F d -3 m :2 | 8.101; 8.101; 8.101 90; 90; 90 | 531.638 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl67 American Mineralogist, 2012, 97, 1834-1840 |
| 9014512 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4425; 11.4425; 11.4425 90; 90; 90 | 1498.18 | 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 = 122.3 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014513 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7504; 4.7504; 9.2549 90; 90; 90 | 208.849 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q3, treated at 750 C for 180 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014515 | CIF | O6 Pr Ta Ti | P n m a | 10.9511; 7.5288; 5.3829 90; 90; 90 | 443.813 | 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 |
| 9014516 | CIF | H6 Mg O6 Si | P 1 21 1 | 5.148; 5.252; 7.404 90; 89.88; 90 | 200.184 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from Pnam American Mineralogist, 2012, 97, 1043-1048 |
| 9014518 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.445; 11.445; 11.445 90; 90; 90 | 1499.16 | 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 = 173.7 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014519 | CIF | Fe2 H5 O7 S0.5 | C 1 2/m 1 | 16.068; 3.058; 10.929 90; 93.82; 90 | 535.814 | Biagioni, C.; Bonaccorsi, E.; Orlandi, P. Volaschioite, Fe3+4(SO4)O2(OH)6*2H20, a new mineral species from Fornovolasco, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2011, 49, 605-614 |
| 9014520 | CIF | Cu2 Se | F m -3 m | 5.694; 5.694; 5.694 90; 90; 90 | 184.609 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu2Se (low), T = 300 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9014521 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7562; 4.7562; 9.291 90; 90; 90 | 210.176 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9014523 | CIF | Al7.293 B3 Ca0.684 F0.712 Fe0.039 H3.288 Li1.62 Mn0.048 Na0.238 O30.288 Pb0.013 Si6 | R 3 m :H | 15.8286; 15.8286; 7.1012 90; 90; 120 | 1540.8 | 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: L24, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014524 | CIF | C Ca O3 | R -3 c :H | 4.9766; 4.9766; 17.3757 90; 90; 120 | 372.682 | 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 = 599 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014525 | CIF | Al1.83 Ca1.3 Ce0.05 Fe1.11 H0.87 La0.03 Mn1.13 Nd0.02 O12.87 Si3 Sr0.19 | P 1 21/m 1 | 8.8673; 5.6747; 10.1594 90; 114.719; 90 | 464.371 | Nagashima, M.; Armbruster, T.; Akasaka, M.; Minakawa, T. Crystal chemistry of Mn2±, Sr-rich and REE-bearing piemontite from the Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan Journal of Mineralogical and Petrological Sciences, 2010, 105, 142-150 |
| 9014526 | CIF | Al1.61 Fe0.392 Mg1.001 O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | 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 = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014528 | CIF | Fe2 Si | P -3 m 1 | 4.052; 4.052; 5.085 90; 90; 120 | 72.304 | Errandonea, D.; Santamaría-Pérez D; Vegas, A.; Nuss, J.; Jansen, M.; Rodríguez-Hernández P; Muñoz, A. Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations Physical Review B - Condensed Matter, 2008, 77, 094113-1-094113-12 |
| 9014529 | CIF | Ca4.52 F3 Mn0.41 Na1.88 O15 Si4 Zr1.19 | P -1 | 10.97; 10.943; 7.365 109.63; 109.65; 83.39 | 784.247 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain IV The Canadian Mineralogist, 2012, 50, 531-548 |
| 9014531 | CIF | Na Nb0.9 O2.95 Ti0.1 | P b m a | 5.5428; 15.5632; 5.5094 90; 90; 90 | 475.261 | 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 = 0.1 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014532 | CIF | Al1.04 H3.2 O6 W0.96 | I -1 | 8.196; 9.187; 11.316 92.82; 94.08; 90.23 | 848.844 | Grey, I. E.; Madsen, I. C.; Mills, S. J.; Hatert, F.; Peterson, V. K.; Bastow, T. J. A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3 American Mineralogist, 2010, 95, 639-645 |
| 9014533 | CIF | Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.303 Li1.605 Mn0.18 Na0.288 O30.303 Pb0.023 Si6 | R 3 m :H | 15.8418; 15.8418; 7.1044 90; 90; 120 | 1544.07 | 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: L6, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014534 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.58; 12.58; 5.058 90; 90; 120 | 693.219 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.76 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014535 | CIF | Mg O3 Si | P b c a | 17.982; 8.633; 5.0926 90; 90; 90 | 790.568 | 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 = 6.57(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014537 | CIF | Mg1.84 O4 Si0.91 | F d -3 m :2 | 8.1115; 8.1115; 8.1115 90; 90; 90 | 533.708 | 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: at room T after heating to T = 736 K American Mineralogist, 2012, 97, 573-582 |
| 9014538 | CIF | Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 | C 1 2/m 1 | 14.319; 17.825; 5.242 90; 103.5; 90 | 1300.98 | Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V. Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given. European Journal of Mineralogy, 2012, 24, 171-179 |
| 9014540 | CIF | Fe | F m -3 m | 3.527; 3.527; 3.527 90; 90; 90 | 43.875 | 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 M620, P = 16.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014541 | CIF | Ca2 O16 Ti2 Zr5 | I 41/a c d :1 | 15.3; 15.3; 10.2 90; 90; 90 | 2387.72 | Pyatenko, Y. A.; Pudovkina, Z. V. The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type Note: ideal structure Soviet Physics Crystallography, 1961, 6, 155-157 |
| 9014542 | CIF | As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176 | C 1 2/m 1 | 19.5336; 11.0637; 15.2559 90; 131.528; 90 | 2468.25 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W. The heteropolymolybdate family: structural relations, nomenclature scheme and new species Mineralogical Magazine, 2012, 76, 1175-1207 |
| 9014543 | CIF | Al7 Ca6 Cl O16 | I -4 3 d | 12.0095; 12.0095; 12.0095 90; 90; 90 | 1732.11 | Iwata, T.; Haniuda, M.; Fukuda, K. Crystal structure of Ca12Al14O32Cl2 and luminescence properties of Ca12Al14O32Cl2:Eu2+ Journal of Solid State Chemistry, 2008, 181, 51-55 |
| 9014545 | CIF | C H K O3 | P 1 21/a 1 | 15.1725; 5.6283; 3.711 90; 104.631; 90 | 306.626 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014547 | CIF | Fe1.22 H2 K Mg0.78 O12 Si4 | C 1 2 1 | 5.223; 9.047; 10.197 90; 100.43; 90 | 473.872 | Tsipurskij, S. I.; Drits, V. A. Refining the crystallographic structure of celadonite Mineralogiceskij Zhurnal, 1986, 8, 32-40 |
| 9014548 | CIF | Al1.458 Fe0.541 Mg1.001 O4 | F d -3 m :2 | 8.1697; 8.1697; 8.1697 90; 90; 90 | 545.278 | 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 = 21 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014551 | CIF | Lu O6 Ta Ti | P b c n | 14.5288; 5.5226; 5.1572 90; 90; 90 | 413.797 | 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 |
| 9014552 | CIF | Ba0.02 Ca3.78 Ce0.36 F2.98 Gd0.02 La0.12 Mn0.02 Na2.04 Nb0.14 Nd0.18 O15.02 Pr0.04 Si4 Sm0.02 Sr0.24 Ti0.85 Y0.06 Zr0.01 | P 1 21/c 1 | 7.424; 5.7083; 18.941 90; 101.424; 90 | 786.787 | Camara, F.; Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 3471 Mineralogical Magazine, 2011, 75, 2755-2774 |
| 9014557 | CIF | F2 Pb | F m -3 m | 5.9397; 5.9397; 5.9397 90; 90; 90 | 209.553 | Achary, S. N.; Tyagi, A. K. Synthesis and characterization of mixed fluorides with PbF2 and ScF3 Powder Diffraction, 2005, 20, 254-258 |
| 9014558 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.71; 17.833; 5.253 90; 105.85; 90 | 875.018 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 4.54 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014559 | CIF | Cr2 Cu S4 | F d -3 m :1 | 9.82; 9.82; 9.82 90; 90; 90 | 946.966 | Riedel, E.; Horvath, E. Spinelle mit substituierten Nichtmetallteilgittern. IV. Roentgenographische Untersuchung der Systeme CuCr2(S11-xSex)4 und CuCr3(Se1-xTex)4 Zeitschrift fur Anorganische und Allgemeine Chemie, 1973, 399, 219-224 |
| 9014561 | CIF | Cs H4 Ni1.5 O26 Se2 U4 | C 1 2/c 1 | 8.755; 14.228; 17.927 90; 103.739; 90 | 2169.2 | 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 1 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9014563 | CIF | C0.124 H3.224 Cr0.25 Mg0.75 O2.984 | P 63/m m c | 3.09689; 3.09689; 15.6193 90; 90; 120 | 129.731 | Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A. The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 84588, 2H1 polytype of stichtite American Mineralogist, 2011, 96, 179-187 |
| 9014567 | CIF | As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 | P n m a | 10.804; 19.003; 5.112 90; 90; 90 | 1049.54 | Neuhold, F.; Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L. Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia Mineralogical Magazine, 2012, 76, 603-612 |
| 9014569 | CIF | C24 H48 Ca12 K7.11 O112 U8 | P n n m | 17.015; 18.048; 18.394 90; 90; 90 | 5648.55 | Hughes Kubatko, K. A.; Burns, P. C. The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6 The Canadian Mineralogist, 2004, 42, 997-1003 |
| 9014570 | CIF | Al7.08 B3 Ca0.62 F0.84 Fe0.66 H2.43 Li0.99 Mg0.24 Na0.32 O30.15 Si6 Ti0.03 | R 3 m :H | 15.894; 15.894; 7.115 90; 90; 120 | 1556.58 | Rozhdestvenskaya, I. V.; Bronzova, Y. M.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Kuznetsova, L. G.; Bannova, I. I. Refinement of the crystal structure of calcium-lithium-aluminum tourmaline from the pegmatite vein in the Sangilen Upland (Tuva Republic) Crystallography Reports, 2008, 53, 223-227 |
| 9014571 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8361; 7.6155; 9.6392 90; 90.134; 90 | 355.004 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9014572 | CIF | Cu Ni Sb2 | P -3 m 1 | 4.051; 4.051; 5.1382 90; 90; 120 | 73.024 | Kabalov, Y. K.; Sokolova, E. V.; Spiridonov, E. M.; Spiridonov, F. M. Crystal structure of a new mineral CuNiSb2 Doklady Akademii Nauk, 1994, 335, 709-711 |
| 9014576 | CIF | Al5.7 B3 Ca0.64 F0.46 H3.32 K0.02 Mg3.24 Na0.34 O30.54 Si6 V0.06 | R 3 m :H | 15.967; 15.967; 7.213 90; 90; 120 | 1592.55 | Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie Magnesium-reicher Turmaline Neues Jahrbuch fur Mineralogie, Abhandlungen, 1979, 136, 93-112 |
| 9014578 | CIF | Cl H | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9014579 | CIF | Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258 | P n m a | 4.695; 11.906; 20.38 90; 90; 90 | 1139.21 | Kazantsev, S. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Zubkova, N. V.; Kabalov, Y. K.; Voloshin, A. V. Crystal structure of holtite I Crystallography Reports, 2005, 50, 42-47 |
| 9014580 | CIF | Cu O | C 1 2/c 1 | 4.6837; 3.4226; 5.1288 90; 99.54; 90 | 81.08 | Asbrink, S.; Norrby, L. J. A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s Acta Crystallographica, Section B, 1970, 26, 8-15 |
| 9014581 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39447; 7.39447; 15.8534 90; 90; 90 | 866.835 | 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 = 200 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014583 | CIF | Al5.466 B3 Ca0.03 Fe3.534 Na0.97 O31 Si6 | R 3 m :H | 15.917; 15.917; 7.252 90; 90; 120 | 1591.15 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h1, heated in air at 700 C for 10 h American Mineralogist, 2012, 97, 1402-1416 |
| 9014584 | CIF | Al0.06 Ba0.97 Ca0.04 Fe2.7 H3 Mg0.04 Mn1.14 Na0.02 O15 P3 Sr0.03 | P 1 21/m 1 | 9.2425; 12.47; 5.002 90; 100.19; 90 | 567.407 | Elliott, P.; Willis, A. C. The crystal structure of perloffite Mineralogical Magazine, 2011, 75, 317-325 |
| 9014585 | CIF | Cu0.881 H12.248 O18.124 P2 U2 | P 4/n :2 | 6.9551; 6.9551; 16.6604 90; 90; 90 | 805.92 | Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R. Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.3 Angstrom phase while heating at 129 C American Mineralogist, 2010, 95, 1132-1140 |
| 9014586 | CIF | K3 Mo4 O22 P4 | P 1 21/c 1 | 9.721; 9.805; 12.329 90; 128.73; 90 | 916.723 | Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B. A series of Mixed-valent Molybdenum Monophosphates, Isotypic with Leucophosphite Represented by CsMo2P2O10 and K1.5Mo2P2O10.H2O _cod_database_code 1001554 Zeitschrift fur Anorganische und Allgemeine Chemie, 1993, 619, 1841-1849 |
| 9014587 | CIF | Fe S4 Sb2 | P n a m | 10.9015; 13.3136; 3.69 90; 90; 90 | 535.56 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9014588 | CIF | Al2 Co0.63 Mg0.37 O4 | F d -3 m :2 | 8.0957; 8.0957; 8.0957 90; 90; 90 | 530.595 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl50 American Mineralogist, 2012, 97, 1834-1840 |
| 9014591 | CIF | Fe | F m -3 m | 3.583; 3.583; 3.583 90; 90; 90 | 45.998 | 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 = 8.36 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014592 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8356; 7.6114; 9.6341 90; 90.158; 90 | 354.588 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9014594 | CIF | Cr2 O3 | R -3 c :H | 4.756; 4.756; 13.109 90; 90; 120 | 256.793 | 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 = 35.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014595 | CIF | Ca2 O4 Si | P b n m | 5.081; 11.224; 6.778 90; 90; 90 | 386.544 | Udagawa, S.; Urabe, K.; Natsume, M.; Yano, T. Refinement of the crystal structure of gamma-Ca2SiO4 Cement and Concrete Research, 1980, 10, 139-144 |
| 9014596 | CIF | Al7.272 B3 Ca0.614 F0.633 Fe0.156 H3.367 Li1.482 Mg0.018 Mn0.057 Na0.311 O30.367 Pb0.006 Si6 Ti0.018 | R 3 m :H | 15.8333; 15.8333; 7.1025 90; 90; 120 | 1542 | 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: L27, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014598 | CIF | Ca0.58 Fe0.5 Mg0.5 Na0.42 O6 Si2 | C 1 2/c 1 | 9.663; 8.813; 5.2184 90; 106.4; 90 | 426.318 | Mills, S. J.; Groat, L. A. The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria Australian Journal of Mineralogy, 2008, 14, 43-45 |
| 9014599 | CIF | As Cu3 S4 | P m n 21 | 7.399; 6.428; 6.145 90; 90; 90 | 292.261 | Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4 Zeitschrift fur Kristallographie, 2004, 219, 20-26 |
| 9014600 | CIF | Al1.76 Ca Fe1.95 H18 Mg0.29 Mn O26 P4 | P 1 2/a 1 | 14.941; 6.9495; 10.054 90; 111; 90 | 974.594 | Grey, I. E.; Mumme, W. G.; Neville, S. M.; Wilson, N. C.; Birch, W. D. Jahnsite - whiteite solid solutions and associated minerals in the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany Mineralogical Magazine, 2010, 74, 969-978 |
| 9014601 | CIF | Al7 B3 Ca0.483 F0.327 H3.291 K0.105 Li2 Na0.412 O30.672 Si6 | R 3 m :H | 15.88; 15.88; 7.118 90; 90; 120 | 1554.5 | Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 European Journal of Mineralogy, 1999, 11, 237-242 |
| 9014603 | CIF | As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01 | I 1 2/a 1 | 5.1794; 11.089; 5.1176 90; 91.282; 90 | 293.853 | Guastoni, A.; Camara, F.; Nestola, F. Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy): Crystal structure and genetic implications American Mineralogist, 2010, 95, 487-494 |
| 9014605 | CIF | Fe | F m -3 m | 3.555; 3.555; 3.555 90; 90; 90 | 44.928 | 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 M622, P = 9.90 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014610 | CIF | Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3 | P n m a | 4.6893; 11.881; 20.394 90; 90; 90 | 1136.22 | Zubkova, N. V.; Pushcharovskii, D. Y.; Kabalov, Y. K.; Kazantsev, S. S.; Voloshin, A. V. Crystal structure of holtite II Crystallography Reports, 2006, 51, 16-22 |
| 9014611 | CIF | C Ca O3 | R -3 c :H | 4.9775; 4.9775; 17.3105 90; 90; 120 | 371.418 | 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 = 500 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014615 | CIF | Cr H2 O2 | P n n m | 4.8691; 4.3184; 2.9594 90; 90; 90 | 62.226 | 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 #630 European Journal of Mineralogy, 2012, 24, 839-850 |
| 9014616 | CIF | Al7.029 B3 F0.14 Fe1.761 H3.38 Mg0.33 Na0.55 O30.86 Si5.862 Ti0.018 | R 3 m :H | 15.963; 15.963; 7.148 90; 90; 120 | 1577.41 | Foit, F. F. Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships American Mineralogist, 1989, 74, 422-431 |
| 9014617 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39601; 7.39601; 15.8469 90; 90; 90 | 866.841 | 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 = 50 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014618 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9667; 7.9775; 5.768 90; 90; 90 | 228.539 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K American Mineralogist, 2012, 97, 707-712 |
| 9014620 | CIF | Al7.239 B3 Ca0.683 F0.638 Fe0.063 H3.362 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.362 Pb0.006 Si6 Ti0.003 | R 3 m :H | 15.8306; 15.8306; 7.0999 90; 90; 120 | 1540.91 | 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: L22, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014621 | CIF | Al8 Be Fe0.885 Mg1.73 O16 Sn0.063 Zn0.322 | P 63 m c | 5.6978; 5.6978; 18.373 90; 90; 120 | 516.565 | Yang, Z.; Ding, K.; De Fourestier, J.; Mao, Q.; Li, H. Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of Fe2±rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore field, Hunan Province, China The Canadian Mineralogist, 2012, 50, 21-29 |
| 9014622 | CIF | Ca H8 O15 Si4 V | C c m 21 | 10.376; 14.062; 8.984 90; 90; 90 | 1310.83 | Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T. Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite Journal of Mineralogical and Petrological Sciences, 2009, 104, 241-252 |
| 9014623 | CIF | Cu H4 O5 Se | P 21 21 21 | 6.666; 9.169; 7.373 90; 90; 90 | 450.642 | Pasero, M.; Perchiazzi, N. Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1989, 1989, 551-556 |
| 9014625 | CIF | Mg39 O120 Si28 | P 1 m 1 | 35.02; 9.23; 7.27 90; 90; 90 | 2349.92 | Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist, 2002, 87, 1443-1457 |
| 9014626 | CIF | As4 Cu6 Hg3 S12 | R 3 :H | 13.75; 13.75; 9.36 90; 90; 120 | 1532.54 | Vasil'ev, V. I.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Kurat'eva, N. V. Aktashite Cu6Hg3As4S12 from the Aktash Deposit, Altai, Russia: Refinement and crystal chemical analysis of the structure Geology of Ore Deposits, 2010, 52, 656-661 |
| 9014627 | CIF | Ba O3 Ti | A m m 2 | 3.9806; 5.671; 5.6904 90; 90; 90 | 128.455 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 210 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014630 | CIF | Mn2 O4 Si | P b n m | 4.9023; 10.5964; 6.2567 90; 90; 90 | 325.015 | Fujino, K.; Sasaki, S.; Takeuchi, Y.; Sadanaga, R. X-ray determination of electron distributions in forsterite, fayalite and tephroite Acta Crystallographica, Section B, 1981, 37, 513-518 |
| 9014631 | CIF | Ge O4 Zn2 | R -3 :R | 8.836; 8.836; 8.836 107.7; 107.7; 107.7 | 563.199 | Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390 |
| 9014632 | CIF | Ca4 F Fe0.08 Hf0.01 Mg0.03 Na2 Nb0.97 O17 Si4 Ti0.09 Zr0.9 | P 1 21 1 | 10.8459; 10.226; 7.2727 90; 109.332; 90 | 761.136 | Chakhmouradian, A. R.; Mitchell, R. H.; Burns, P. C.; Mikhailova, Y.; Reguir, E. P. Marianoite, a new member of the cuspidine group from the Prairie Lake silicocarbonatite, Ontario Note: ordering of elements in M1 and M2 could not be determined The Canadian Mineralogist, 2008, 46, 1023-1032 |
| 9014633 | CIF | Al1.85 Fe2.958 Mg0.928 Mn Na2.362 O24 P6 | P 1 21/n 1 | 11.91; 12.383; 6.372 90; 114.43; 90 | 855.614 | Hatert, F.; Baijot, M.; Philippo, S.; Wouters, J. Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil European Journal of Mineralogy, 2010, 22, 459-467 |
| 9014635 | CIF | Ba O10 Si3 Yb2 | P 1 21/m 1 | 5.377; 12.1172; 6.79 90; 106.5; 90 | 424.179 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9014636 | CIF | Al1.98 Ca0.04 F1.02 Fe1.16 H0.98 Li2.56 Mg1.1 Mn0.08 Na0.73 O22.98 Si8 Zn0.02 | C 1 2/m 1 | 9.372; 17.6312; 5.2732 90; 102.247; 90 | 851.512 | Oberti, R.; Boiocchi, M.; Ball, N. A.; Hawthorne, F. C. Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole group from the Sutlug River, Tuva Republic, Russia: description and crystal structure Mineralogical Magazine, 2009, 73, 487-494 |
| 9014637 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | 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 = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014639 | CIF | Al0.02 Ca0.3 Fe0.1 H0.25 Na0.08 Nb0.62 O6.48 Pb1.3 Si0.24 Sn0.14 Ta0.82 Ti0.06 U0.04 | F d -3 m :2 | 10.571; 10.571; 10.571 90; 90; 90 | 1181.27 | Bindi, L.; Zoppi, M.; Bonazzi, P. Plumbomicrolite from the Ploskaya Mountain, Keivy Massif, Kola Peninsula, Russia: composition and crystal structure Periodico di Mineralogia, 2006, 76, 51-58 |
| 9014640 | CIF | Fe Si2 | P 4/m m m | 2.69; 2.69; 5.08 90; 90; 90 | 36.759 | Phragmen, G. Om jarn-kisellegeringarnas byggnad Jernkontorets Annaler, 1923, 107, 121-131 |
| 9014641 | CIF | Al7.194 B3 Ca0.66 F0.434 Fe0.093 H3.566 Li1.647 Mn0.051 Na0.272 O30.566 Pb0.005 Si6 Ti0.009 | R 3 m :H | 15.8368; 15.8368; 7.1014 90; 90; 120 | 1542.44 | 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: L26, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014642 | CIF | C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 | P 63 | 12.618; 12.618; 5.144 90; 90; 120 | 709.272 | 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# tz5/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014644 | CIF | B Be2 F0.04 H0.96 O3.96 | P b c a | 9.762; 12.201; 4.43 90; 90; 90 | 527.64 | Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F) American Mineralogist, 2012, 97, 1891-1897 |
| 9014645 | CIF | Ba O3 Ti | A m m 2 | 3.9855; 5.6738; 5.6903 90; 90; 90 | 128.674 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 250 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014647 | CIF | O8 Pb2 Te1.25 U0.75 | P 1 21/c 1 | 5.722; 7.7478; 7.889 90; 90.833; 90 | 349.705 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate American Mineralogist, 2010, 95, 1554-1559 |
| 9014648 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.53; 12.53; 5.072 90; 90; 120 | 689.623 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.99 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014649 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8354; 7.6082; 9.6335 90; 90.158; 90 | 354.403 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9014650 | CIF | As1.38 Ca2.04 Mn1.936 Na0.96 O12 Si0.03 V1.563 | I a -3 d | 12.5342; 12.5342; 12.5342 90; 90; 90 | 1969.2 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9014651 | CIF | H3 K O8 S U | P 1 21/c 1 | 8.0462; 7.9256; 11.3206 90; 107.726; 90 | 687.651 | Plasil, J.; Hlousek, J.; Veselovsky, F.; Fejfarova, K.; Dusek, M.; Skoda, R.; Novak, M.; Cejka, J.; Sejkora, J.; Ondrus, P. Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl, sulphate mineral from Jachymov, Czech Republic American Mineralogist, 2012, 97, 447-454 |
| 9014652 | CIF | Ge O2 | P 32 2 1 | 4.9858; 4.9858; 5.6473 90; 90; 120 | 121.574 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014654 | CIF | Na0.48 Nb2 Nd0.52 O6 | P m m m | 3.8972; 3.9086; 7.8057 90; 90; 90 | 118.901 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .16 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014655 | CIF | Hg I2 | P 42/n m c :2 | 4.37; 4.37; 12.437 90; 90; 90 | 237.508 | 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 = 293 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9014660 | CIF | C D K O3 | P 1 21/a 1 | 15.1948; 5.6307; 3.7107 90; 104.567; 90 | 307.272 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014661 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.2953; 14.3759; 5.5037 90; 90; 90 | 418.968 | 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 = 8.89 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014662 | CIF | Al7.191 B3 Ca0.51 F0.753 Fe0.027 H3.246 Li1.359 Mn0.423 Na0.408 O30.246 Pb0.026 Si6 | R 3 m :H | 15.853; 15.853; 7.12 90; 90; 120 | 1549.65 | 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: L12, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014664 | CIF | Al0.162 Fe0.18 H4 Mg2.694 O9 Si1.886 | P 3 1 m | 5.3244; 5.3244; 7.268 90; 90; 120 | 178.438 | Laurora, A.; Brigatti, M. F.; Malferrari, D.; Galli, E.; Rossi, A. The crystal chemistry of lizardite-1T from northern Apennines ophiolites near Modena, Italy Note: Pompeano 4, polytype 1T The Canadian Mineralogist, 2011, 49, 1045-1054 |
| 9014665 | CIF | H7 Mg O7 P | P b c a | 10.215; 10.681; 10.014 90; 90; 90 | 1092.59 | Sutor, D. J. The crystal and molecular structure of newberyite, MgHPO4*3H2O Acta Crystallographica, 1967, 23, 418-422 |
| 9014668 | CIF | Ba O3 Ti | P 4 m m | 3.9988; 3.9988; 4.0222 90; 90; 90 | 64.317 | Xiao, C. J.; Jin, C. Q.; Wang, X. H. Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase T (tetragonal) Materials Chemistry and Physics, 2008, 111, 209-212 |
| 9014669 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4572; 11.4572; 11.4572 90; 90; 90 | 1503.96 | 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 = 295 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014670 | CIF | Be6 Ca4 H10 Na2 O32 Si8 | P 1 21 1 | 7.1222; 19.8378; 9.8071 90; 111.287; 90 | 1291.1 | Grice, J. D.; Raade, G.; Cooper, M. A. Alflarsenite: Structure and relationship to other Be-Si and zeolite framework structures Note: x-coordinate for O7 changed by authors The Canadian Mineralogist, 2010, 48, 255-266 |
| 9014672 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7848; 9.1369; 5.1936 90; 101.764; 90 | 454.569 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 100 K American Mineralogist, 2012, 97, 694-706 |
| 9014675 | CIF | Cu1.55 Fe0.45 Se2 Tl | I 4/m m m | 3.976; 3.976; 13.7 90; 90; 90 | 216.577 | Makovicky, E.; Johan, Z.; Karup-Moller S New data on bukovite, thalcusite, chalcothallite and rohaite Neues Jahrbuch fur Mineralogie, Abhandlungen, 1980, 138, 122-146 |
| 9014678 | CIF | As S | P 1 21/n 1 | 9.065; 13.03; 6.375 90; 106.77; 90 | 720.971 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9014680 | CIF | C4 H6 Ca O6 | P -1 | 5.9466; 10.2247; 16.6496 72.213; 79.718; 89.791 | 947.062 | Herdtweck, E.; Kornprobst, T.; Sieber, R.; Straver, L.; Plank, J. Crystal structure, synthesis, and properties of tri-calcium di-citrate tetra-hydrate [Ca3(C6H5O7)2(H2O)2]*2H2O Notwe: polymorph of earlandite Zeitschrift fur Anorganische und Allgemeine Chemie, 2011, 637, 655-659 |
| 9014682 | CIF | Bi O4 V | P n c a | 5.328; 5.052; 12.003 90; 90; 90 | 323.085 | Granzin, J.; Pohl, D. Refinement of pucherite, BiVO4 Zeitschrift fur Kristallographie, 1969, 169, 289-294 |
| 9014684 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7993; 9.1491; 5.1991 90; 101.891; 90 | 456.122 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 298 K American Mineralogist, 2012, 97, 694-706 |
| 9014685 | CIF | Al7 Ca2 H33 O39 P4 | P 3 2 1 | 6.988; 6.988; 16.707 90; 90; 120 | 706.537 | Mills, S. J.; Kampf, A. R.; Sejkora, J.; Adams, P. M.; Birch, W. D.; Plasil, J. Iangreyite: a new secondary phosphate mineral closely related to perhamite Mineralogical Magazine, 2011, 75, 327-336 |
| 9014688 | CIF | H12 O10 S Zn | C 1 2/c 1 | 9.9692; 7.2441; 24.2493 90; 98.488; 90 | 1732.05 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
| 9014689 | CIF | As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 | P -3 | 5.3506; 5.3506; 19.5802 90; 90; 120 | 485.459 | Mills, S. J.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Pasero, M.; Biagioni, C.; Merlino, S.; Berbain, C.; Orlandi, P. Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France Mineralogical Magazine, 2012, 76, 1347-1354 |
| 9014690 | CIF | Ba0.276 Cu O10 Si4 Sr0.724 | P 4/n c c :2 | 7.37735; 7.37735; 15.7266 90; 90; 90 | 855.925 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014693 | CIF | Fe S4 Sb2 | P n a m | 11.2796; 13.9181; 3.7359 90; 90; 90 | 586.501 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 1.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9014695 | CIF | Cr O4 Sr | P 1 21/n 1 | 7.065; 7.375; 6.741 90; 103.08; 90 | 342.123 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9014699 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5078; 11.5078; 11.5078 90; 90; 90 | 1523.97 | 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 = 773.1 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014700 | CIF | Al H44 Na3 O50 V10 | P -1 | 8.668; 10.295; 12.908 105.826; 97.899; 103.385 | 1053.06 | Rakovan, J.; Schmidt, G. R.; Gunter, M. E.; Nash, B.; Marty, J.; Kampf, A. R.; Wise, W. S. Hughesite, Na3Al(V10O28)*22H2O, a new member of the pascoite family of minerals from the Sunday mine, San Miguel county, Colorado The Canadian Mineralogist, 2011, 49, 1253-1265 |
| 9014701 | CIF | C Ca O3 | C 1 2/c 1 | 12.17; 7.12; 9.47 90; 118.37; 90 | 722.026 | Mugnaioli, E.; Andrusenko, I.; Schuler, T.; Loges, N.; Dinnebier, R. E.; Panthofer, M.; Tremel, W.; Kolb, U. Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie Angewandte Chemie, 2012, 124, 1-6 |
| 9014702 | CIF | C H O4 Sm | P n m a | 7.1388; 4.9151; 8.4717 90; 90; 90 | 297.254 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014704 | CIF | Cl Cu2 H3 O3 | P 1 21/n 1 | 6.1675; 6.8327; 9.1517 90; 99.492; 90 | 380.379 | Malcherek, T.; Schluter, J. Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1 Acta Crystallographica, Section B, 2009, 65, 334-341 |
| 9014705 | CIF | H5.5 Li Na1.5 O16 Si4 Ti2 | C 1 2/c 1 | 27.483; 8.669; 5.246 90; 90.782; 90 | 1249.74 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Men'shikov, Y. P.; Drogobuzhskaya, S. V.; Zalkind, O. A. Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate from the Lovozero alkaline massif (Kola Peninsula, Russia) Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths American Mineralogist, 2011, 96, 1624-1629 |
| 9014706 | CIF | Al2 Cl H18 N4 Na O18 S4 | I 41/a c d :2 | 18.118; 18.118; 11.32 90; 90; 90 | 3715.93 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 315-321 |
| 9014708 | CIF | Al2.796 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9935; 6.9935; 17.64 90; 90; 120 | 747.168 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 500 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9014709 | CIF | C H Eu O4 | P 21 21 21 | 7.1002; 4.8932; 8.453 90; 90; 90 | 293.68 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014710 | CIF | Nb1.32 O18 Sb5 Ta1.28 Ti0.16 W1.24 | C 1 2/c 1 | 54.116; 4.9143; 5.5482 90; 90.425; 90 | 1475.46 | Hawthorne, F. C.; Cooper, M. A.; Ball, N. A.; Abdu, Y. A.; Cerny, P.; Camara, F.; Laurs, B. M. Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan: description and crystal structure The Canadian Mineralogist, 2012, 50, 805-814 |
| 9014712 | CIF | Cu3 H8 Mo O8 | P 1 21/m 1 | 9.9904; 5.9934; 5.5255 90; 97.428; 90 | 328.071 | Yang, H.; Jenkins, R. A.; Thompson, R. M.; Downs, R. T.; Evans, S. H.; Bloch, E. M. Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, from Copper Creek, Pinal County, Arizona, U.S.A. American Mineralogist, 2012, 97, 197-202 |
| 9014713 | CIF | B8 Cl14 H4 Mn2 O45 Pb36 | P m m n :2 | 12.759; 27.169; 11.515 90; 90; 90 | 3991.67 | Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O American Mineralogist, 2013, 98, 256-261 |
| 9014714 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8355; 7.6102; 9.6317 90; 90.15; 90 | 354.437 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study American Mineralogist, 2010, 95, 1413-1421 |
| 9014715 | CIF | Al1.61 Fe0.391 Mg0.999 O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | 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 = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014716 | CIF | Cl Cu H O | P 1 21/a 1 | 5.555; 6.671; 6.127 90; 114.88; 90 | 205.978 | Effenberger, H. Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl Monatshefte fur Chemie, 1984, 115, 725-730 |
| 9014717 | CIF | Al1.462 Fe0.537 Mg O4 | F d -3 m :2 | 8.169; 8.169; 8.169 90; 90; 90 | 545.138 | 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 = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014718 | CIF | O3 Sb | P 1 21/n 1 | 5.2526; 4.7331; 8.6322 90; 90.8; 90 | 214.585 | Fourquet, J.; Gillet, P.; Le Bail, A. Li/H topotactic exchange on LiSbO3: The series Li(1-x)HxSbO3 (0<=x<=1). _cod_database_code 1000143 Materials Research Bulletin, 1989, 24, 1207-1214 |
| 9014719 | CIF | Cl2 Co | R -3 m :H | 3.553; 3.553; 17.359 90; 90; 120 | 189.778 | Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C. Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2 Physical Review, 1959, 113, 497-507 |
| 9014721 | CIF | Al2.5 Ca0.773 H5.66 Na0.7 O12.83 Si2.5 | P b m n | 13.0809; 13.0597; 6.6051 90; 90; 90 | 1128.37 | Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 295.5 K American Mineralogist, 2010, 95, 495-502 |
| 9014722 | CIF | C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 | P 63 | 12.618; 12.618; 5.116 90; 90; 120 | 705.411 | 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# 11/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014723 | CIF | H12 Mg3.592 O22 Si6 | P n c n | 13.3067; 26.972; 5.2664 90; 90; 90 | 1890.16 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample BAT25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9014724 | CIF | Al7.317 B3 Ca0.695 F0.678 Fe0.057 H3.51 Li1.569 Mg0.021 Mn0.033 Na0.24 O30.51 Pb0.007 Si6 Ti0.003 | R 3 m :H | 15.8299; 15.8299; 7.1009 90; 90; 120 | 1540.99 | 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: L23, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014725 | CIF | Fe2 H6 O13 S Te2 | P 21 n b | 9.6967; 14.2676; 7.8748 90; 90; 90 | 1089.47 | Kampf, A. R.; Mills, S. J. The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite Journal of Geosciences, 2011, 56, 235-247 |
| 9014726 | CIF | H5.38 Na1.581 O17.69 Rb0.2 Si6 Zr | P b c m | 7.128; 14.644; 14.642 90; 90; 90 | 1528.37 | Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V. Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 90 deg C Crystallography Reports, 2011, 56, 832-841 |
| 9014728 | CIF | C Fe O3 | R -3 c :H | 4.637; 4.637; 14.98 90; 90; 120 | 278.944 | 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 P4, P = 7.31 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014729 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.176; 5.5342; 10.0007 90; 90; 90 | 895.275 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 1.144 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9014730 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.919; 9.919; 9.919 90; 90; 90 | 975.896 | Mereiter, K. Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3 Neues Jahrbuch fur Mineralogie, Monatshefte, 1979, 1979, 182-188 |
| 9014732 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7533; 4.7533; 9.2773 90; 90; 90 | 209.61 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9014734 | CIF | Al1.356 Be3 Fe0.384 H10.944 Mg0.258 Na0.432 O18.912 Si6 | P 6/m c c | 9.258; 9.258; 9.156 90; 90; 120 | 679.627 | Groat, L. A.; Rossman, G. R.; Dyar, M. D.; Turner, D.; Piccoli, P. M. B.; Schultz, A. J.; Ottolini, L. Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: neutron The Canadian Mineralogist, 2010, 48, 597-613 |
| 9014735 | CIF | Al2 Co0.5 O4 Zn0.5 | F d -3 m :2 | 8.09491; 8.09491; 8.09491 90; 90; 90 | 530.44 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.035, Co content = 0.50 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9014736 | CIF | C O6 Pb2 S2 | P n m a | 16.326; 8.773; 4.583 90; 90; 90 | 656.414 | Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F. Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-03 Baden-Wurttemberg, Germany Mineralogical Magazine, 2011, 75, 2721-2732 |
| 9014738 | CIF | Bi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 V | P n a m | 7.486; 9.62; 5.881 90; 90; 90 | 423.522 | Krause, W.; Kolitsch, U.; Bernhardt, H. J.; Effenberger, H. Duhamelite discredited Neues Jahrbuch fur Mineralogie, Monatshefte, 2003, 2003, 75-96 |
| 9014739 | CIF | B Cs O6 Si2 | I 41/a c d :2 | 13.019; 13.019; 12.899 90; 90; 90 | 2186.31 | Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C. Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 523-529 |
| 9014740 | CIF | Ca4 F2 O7 Si2 | P 1 21/c 1 | 7.518; 10.521; 10.906 90; 70.7; 90 | 814.152 | Saburi, S.; Kawahara, A.; Henmi, C.; Kusachi, I.; Kihara, K. The refinement of the crystal structure of cuspidine Mineralogical Journal, 1977, 8, 286-298 |
| 9014742 | CIF | Al1.45 Fe0.55 Mg O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | 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 = 1680 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014743 | CIF | Ba O3 Ti | R 3 m :R | 4.0036; 4.0036; 4.0036 89.839; 89.839; 89.839 | 64.172 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 15 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014744 | CIF | C Ca O3 | R -3 c :H | 4.9773; 4.9773; 17.3231 90; 90; 120 | 371.658 | 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 = 519 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014745 | CIF | O6 Ta Tb Ti | P n m a | 10.977; 7.414; 5.238 90; 90; 90 | 426.287 | 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 |
| 9014746 | CIF | Al3.12 As3 Ba0.51 Fe0.88 H4 O18.9 | P -4 3 m | 7.772; 7.772; 7.772 90; 90; 90 | 469.46 | Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine, 2011, 75, 135-144 |
| 9014747 | CIF | In19 S19.6 Se21.4 Sn12 | C 1 2/m 1 | 56.29; 3.924; 15.916 90; 102.56; 90 | 3431.43 | Topa, D.; Makovicky, E. Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41 The Canadian Mineralogist, 2012, 50, 397-422 |
| 9014748 | CIF | Al2.232 Ba0.027 Cr0.094 Fe0.142 H2 K0.948 Mg0.268 Mn0.002 Na0.051 O12 Si3.252 Ti0.01 | C 1 2/c 1 | 5.2153; 9.043; 19.974 90; 95.789; 90 | 937.209 | Rule, A. C.; Bailey, S. W. Refinement of the crystal structure of phengite-2M1 Clays and Clay Minerals, 1985, 33, 403-409 |
| 9014749 | CIF | Al3.312 Ca0.848 H26.44 K0.652 Mg0.66 O37.22 Si8.688 | R -3 m :R | 9.382; 9.382; 9.382 94.57; 94.57; 94.57 | 817.498 | Passaglia, E.; Ferro, O. Occurrence and crystal structure of magnesian chabazite Studies in Surface Science and Catalysis, 2002, 142, 1729-1735 |
| 9014751 | CIF | Fe3 Si | F m -3 m | 5.644; 5.644; 5.644 90; 90; 90 | 179.788 | Kanematsu, K. Stability of crystal structure of (Fe,V)3M and (Fe,Ni)3M (M=Si,Ge,Sn) and its analysis based on rigid band model Transactions of the Japan Institute of Metals, 1986, 27, 225-232 |
| 9014752 | CIF HKL | C3 H10 Mg9 O48 Pb8 Si10 | C 1 2 1 | 16.232; 9.373; 14.06 90; 97.36; 90 | 2121.5 | Kolitsch, U.; Merlino, S.; Holtstam, D. Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite Mineralogical Magazine, 2012, 76, 493-516 |
| 9014753 | CIF | Ru S2 | P a -3 | 6.636; 6.636; 6.636 90; 90; 90 | 292.226 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9014756 | CIF | Ba O3 Ti | R 3 m :R | 4.0041; 4.0041; 4.0041 89.852; 89.852; 89.852 | 64.196 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 170 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014758 | CIF | Mn Te2 | P a -3 | 6.943; 6.943; 6.943 90; 90; 90 | 334.689 | Oftedal, I. Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit Zeitschrift fur Physikalische Chemie, 1928, 135, 291-299 |
| 9014759 | CIF | As0.132 Ca2.19 Mn1.978 Na0.81 O12 Si0.18 V2.7 | I a -3 d | 12.5359; 12.5359; 12.5359 90; 90; 90 | 1970 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
| 9014760 | CIF | Br0.13 Cl4.87 K0.94 Pb2 Tl0.06 | P 1 21/c 1 | 8.8989; 7.9717; 12.5624 90; 90.022; 90 | 891.169 | Mitolo, D.; Pinto, D.; Garavelli, A.; Bindi, L.; Vurro, F. The role of the minor substitutions in the crystal structure of natural challacolloite, KPb2Cl5, and hephaistosite, TiPb2Cl5, from Vulcano (Aeolian Archipelago, Italy) Mineralogy and Petrology, 2009, 96, 121-128 |
| 9014761 | CIF | C Fe O3 | R -3 c :H | 4.587; 4.587; 14.258 90; 90; 120 | 259.805 | 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 P6, P = 18.37 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014762 | CIF | Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91 | C 1 2/m 1 | 13.973; 5.6984; 11.988 90; 114.1; 90 | 871.327 | Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E. Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China European Journal of Mineralogy, 2012, 24, 189-196 |
| 9014763 | CIF | Fe5 Si3 | P 63/m c m | 6.6904; 6.6904; 4.667 90; 90; 120 | 180.914 | 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 = 8.8 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014764 | CIF | Ca2 Fe2 O5 | P n m a | 5.3956; 14.6756; 5.5703 90; 90; 90 | 441.077 | 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 = 0.0 Note: P = 2.249 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9014765 | CIF | O4 Si Zn2 | R -3 :R | 8.628; 8.628; 8.628 107.87; 107.87; 107.87 | 521.689 | Hang, C.; Simonov, M. A.; Belov, N. V. Crystal structures of willemite Zn2[SiO4] and its germanium analog Zn2[GeO4] Soviet Physics Crystallography, 1970, 15, 387-390 |
| 9014766 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.947; 15.465; 6.626 90; 91.3; 90 | 1428.8 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification Crystallography Reports, 2003, 48, 12-15 |
| 9014767 | CIF | Al0.01 Ca0.19 F1.03 Fe1.73 H0.73 K0.98 Mg3.09 Mn0.04 Na1.81 O22.97 Si8 Ti0.12 Zn0.01 | C 1 2/m 1 | 9.9591; 17.9529; 5.2867 90; 104.34; 90 | 915.783 | Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Robinson, P. Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada Mineralogical Magazine, 2010, 74, 951-960 |
| 9014770 | CIF | Al2 Ca0.273 H4 O10 Si2 Sr0.727 | P 1 21/m 1 | 5.3962; 13.2461; 5.8505 90; 124.39; 90 | 345.092 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU91 American Mineralogist, 2010, 95, 724-735 |
| 9014771 | CIF | Al1.892 Be2.829 Cu0.171 Fe0.108 H0.96 Li0.12 O18.48 Si6 | P 6/m c c | 9.2483; 9.2483; 9.2193 90; 90; 120 | 682.893 | Adamo, I.; Gatta, G. D.; Rotiroti, N.; Diella, V.; Pavese, A. Gemmological investigation of a synthetic blue beryl: a multi-methodological study Note: Sample: M2-3 Mineralogical Magazine, 2008, 72, 799-808 |
| 9014772 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.251 90; 90; 120 | 369.621 | 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 = 379 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014774 | CIF | Ba O3 Ti | A m m 2 | 3.99; 5.669; 5.682 90; 90; 90 | 128.523 | Shirane, G.; Danner, H.; Pepinsky, R. Neutron diffraction study of orthorhombic BaTiO3 Note: orthorhombic structure Physical Review, 1957, 105, 856-860 |
| 9014776 | CIF | As2 Pd | P a -3 | 5.9855; 5.9855; 5.9855 90; 90; 90 | 214.438 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9014777 | CIF | Ca0.2 F O12 P3 Sr4.8 | P 63/m | 9.845; 9.845; 7.383 90; 90; 120 | 619.719 | Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S. Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia European Journal of Mineralogy, 2010, 22, 869-874 |
| 9014779 | CIF | As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 | I -1 | 7.1; 7.125; 19.955 92.406; 94.924; 90.42 | 1004.8 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group European Journal of Mineralogy, 2012, 24, 913-922 |
| 9014781 | CIF | Al H24 O20 Rb S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014783 | CIF | Fe5 Si3 | P 63/m c m | 6.5771; 6.5771; 4.593 90; 90; 120 | 172.066 | 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 = 22.6 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014784 | CIF | Fe H4 K3 O19 S4 Ti | C 1 2/c 1 | 7.55943; 16.7923; 12.1783 90; 94.076; 90 | 1542.01 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M. Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile Mineralogical Magazine, 2012, 76, 851-861 |
| 9014785 | CIF | Mg1.88 O4 Si0.96 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | 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: at room T after heating to T = 635 K American Mineralogist, 2012, 97, 573-582 |
| 9014786 | CIF | Al2 Ca0.507 H4 O10 Si2 Sr0.493 | P 1 21/m 1 | 5.364; 13.2175; 5.8452 90; 124.25; 90 | 342.553 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU82 American Mineralogist, 2010, 95, 724-735 |
| 9014789 | CIF | Fe | F m -3 m | 3.521; 3.521; 3.521 90; 90; 90 | 43.651 | 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 M620, P = 17.59 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014791 | CIF | As2 Ca2 Fe3 H32.148 K0.602 Mo8 O53.074 | C 1 2/m 1 | 19.44; 11.096; 15.25 90; 131.28; 90 | 2472.06 | Schmetzer, K.; Nuber, B.; Tremmel, G. Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 393-403 |
| 9014793 | CIF | Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2 | F d -3 m :2 | 10.454; 10.454; 10.454 90; 90; 90 | 1142.48 | Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J. Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil American Mineralogist, 2013, 98, 292-296 |
| 9014794 | CIF | La0.52 Na0.48 Nb2 O6 | P m m m | 3.921; 3.923; 7.8651 90; 90; 90 | 120.982 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .16 Inorganic Materials, 2004, 40, 1324-1330 |
| 9014795 | CIF | Al7.335 B3 Ca0.688 F0.729 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, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014797 | CIF | Co4 In0.2 Sb12 | I m -3 | 9.05294; 9.05294; 9.05294 90; 90; 90 | 741.94 | He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A. Thermoelectric properties of indium-filled skutterudites Chemistry of Materials, 2006, 18, 759-762 |
| 9014798 | CIF | Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 | R 3 c :H | 10.3394; 10.3394; 37.0836 90; 90; 120 | 3433.23 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9014799 | CIF | Ni3 Sn | P m -3 m | 3.7349; 3.7349; 3.7349 90; 90; 90 | 52.1 | Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L. Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec The Canadian Mineralogist, 2011, 49, 651-656 |
| 9014800 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.386; 12.386; 4.954 90; 90; 120 | 658.186 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 3.59 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014801 | CIF | Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8 | C 1 2/m 1 | 9.737; 17.873; 5.264 90; 105.76; 90 | 881.653 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 3.65 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014802 | CIF | Al0.64 Cu3 Fe0.36 K3 O18 S4 | I 1 2 1 | 18.772; 4.967; 18.468 90; 101.66; 90 | 1686.43 | Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N. The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 Geology of Ore Deposits, 2009, 51, 656-662 |
| 9014803 | CIF | Be H2 O2 | P 21 21 21 | 4.5328; 4.6252; 7.0379 90; 90; 90 | 147.55 | Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9014807 | CIF | Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291 | R -3 m :R | 9.421; 9.421; 9.421 94.2; 94.2; 94.2 | 829.077 | Calligaris, M.; Nardin, G.; Randaccio, L. Cation-site location in a natural chabazite Acta Crystallographica, Section B, 1982, 38, 602-605 |
| 9014808 | CIF | Al5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009 | R 3 m :H | 15.945; 15.945; 7.21 90; 90; 120 | 1587.5 | Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E. Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions American Mineralogist, 2010, 95, 1-10 |
| 9014809 | CIF | Be O | P 63 m c | 2.714; 2.714; 4.405 90; 90; 120 | 28.099 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 1073 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014810 | CIF | Cr2 O3 | R -3 c :H | 4.8949; 4.8949; 13.432 90; 90; 120 | 278.714 | 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 = 8.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014816 | CIF | Al2 Co0.75 O4 Zn0.25 | F d -3 m :2 | 8.10011; 8.10011; 8.10011 90; 90; 90 | 531.463 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9014818 | CIF | H8 O12 P2 Zn3 | P b n m | 5.0135; 10.6044; 18.2828 90; 90; 90 | 972.008 | Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803 |
| 9014819 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.62; 12.62; 5.083 90; 90; 120 | 701.083 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC) American Mineralogist, 2012, 97, 872-882 |
| 9014820 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.822; 10.46; 6.101 90; 90; 90 | 307.723 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 600 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9014821 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1479; 8.1479; 8.1479 90; 90; 90 | 540.925 | 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 = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014822 | CIF | Ag Pb S6 Sb3 | P 1 21/c 1 | 19.1686; 17.16; 13.042 90; 90.008; 90 | 4289.95 | Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K. Structural relations and pseudosymmetries in the andorite homologous series Journal of Mineralogical and Petrological Sciences, 2012, 107, 226-243 |
| 9014823 | CIF | C H2 Cu1.2 O5 Zn0.8 | P 1 21/a 1 | 12.8976; 9.3705; 3.1623 90; 110.262; 90 | 358.536 | Perchiazzi, N. Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite Zeitschrift fur Kristallographie Supplement, 2006, 23, 505-510 |
| 9014824 | CIF | Cr2 O3 | R -3 c :H | 4.69; 4.69; 12.972 90; 90; 120 | 247.106 | 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 = 50.2 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014825 | CIF | C H O4 Y | P 21 21 21 | 6.9591; 4.8141; 8.4722 90; 90; 90 | 283.834 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014826 | CIF | Al2 Co O4 | F d -3 m :2 | 8.10559; 8.10559; 8.10559 90; 90; 90 | 532.542 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9014827 | CIF | Ca1.78 Fe1.72 H2 K0.1 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.806; 17.999; 5.296 90; 105.43; 90 | 901.043 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.26 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014828 | CIF | Fe2.16 Mg0.31 O4 Si0.53 | I m m a | 5.8319; 11.8873; 8.3522 90; 90; 90 | 579.021 | 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: 8f5v0128, Spinelloid-III European Journal of Mineralogy, 2012, 24, 657-668 |
| 9014829 | CIF | Bi3.92 Cu4 S9 | P b n m | 31.68; 11.659; 3.972 90; 90; 90 | 1467.09 | Bente, K.; Kupcik, V. Redetermination and refinement of the structure of tetrabismuth tetracopper enneasulphide Cu4Bi4S9 Acta Crystallographica, Section C, 1984, 40, 1985-1986 |
| 9014830 | CIF | Al K0.985 O4 Si | P 3 1 c | 5.1665; 5.1665; 8.7248 90; 90; 120 | 201.687 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 298 K American Mineralogist, 2010, 95, 1027-1034 |
| 9014831 | CIF | Al1.611 Fe0.39 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | 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 = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014832 | CIF | O4 Si Zn2 | R -3 :H | 13.971; 13.971; 9.334 90; 90; 120 | 1577.81 | Simonov, M. A.; Sandomirskii, P. A.; Egorov-Tismenko Y K; Belov, N. V. The crystal structure of willemite Zn2[SiO4] Doklady Akademii Nauk SSSR, 1977, 237, 581-584 |
| 9014833 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9638; 7.9698; 5.7545 90; 90; 90 | 227.651 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K American Mineralogist, 2012, 97, 707-712 |
| 9014836 | CIF | Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 | P 4/n n c :2 | 15.5948; 15.5948; 11.7794 90; 90; 90 | 2864.72 | Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1 American Mineralogist, 2012, 97, 1627-1634 |
| 9014838 | CIF | C Ca O3 | P m c n | 4.9586; 7.9867; 5.7547 90; 90; 90 | 227.903 | 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 = 92 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014839 | CIF | Al2 Ca0.79 H4 O10 Si2 Sr0.21 | P 1 21/m 1 | 5.3032; 13.174; 5.8436 90; 123.76; 90 | 339.416 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: run #AU63 American Mineralogist, 2010, 95, 724-735 |
| 9014840 | CIF | Ca4 F2 O7 Si2 | P 1 21/c 1 | 7.55; 10.43; 10.85 90; 69.93; 90 | 802.515 | Smirnova, R. F.; Rumanova, I. M.; Belov, N. V. Crystal structure of cuspidine Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva, 1955, 84, 159-169 |
| 9014841 | CIF | C2.878 H11.38 O5 | F d -3 m :1 | 17.1925; 17.1925; 17.1925 90; 90; 90 | 5081.79 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014842 | CIF | Ag0.308 Bi4 Cu0.358 Pb3.643 S10 | P n m a | 23.846; 4.0559; 19.066 90; 90; 90 | 1844.01 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 5 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9014844 | CIF | C D K O3 | P 1 21/a 1 | 15.17; 5.6183; 3.6885 90; 104.297; 90 | 304.633 | Thomas, J. O.; Tellgren, R.; Olovsson, I. Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 219 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9014846 | CIF | Mg1.84 O4 Si0.95 | F d -3 m :2 | 8.1164; 8.1164; 8.1164 90; 90; 90 | 534.676 | 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 = 635 K American Mineralogist, 2012, 97, 573-582 |
| 9014847 | CIF | Cs2 H9.5 O37.75 Se4 U7 | P 1 21/m 1 | 9.1381; 15.0098; 15.1732 90; 91.171; 90 | 2080.74 | 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 4 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9014848 | CIF | As Ca Cu0.96 H Mg0.04 O5 | P 21 21 21 | 7.3849; 5.8379; 9.1937 90; 90; 90 | 396.362 | Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131 |
| 9014850 | CIF | Cr2 O3 | R -3 c :H | 4.9371; 4.9371; 13.53 90; 90; 120 | 285.609 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 18.6 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014851 | CIF | Fe | F m -3 m | 3.473; 3.473; 3.473 90; 90; 90 | 41.89 | 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 M620, P = 26.55 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014853 | CIF | Al2 Ca0.68 H4 O10 Si2 Sr0.32 | P 1 21/m 1 | 5.33; 13.1956; 5.8449 90; 123.96; 90 | 340.967 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62 American Mineralogist, 2010, 95, 724-735 |
| 9014854 | CIF | Al0.66 Ca1.96 Fe0.12 Mg0.24 Na0.04 O7 Si1.3 | P -4 21 m | 7.738; 7.738; 5.045 90; 90; 90 | 302.078 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9014856 | CIF | Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43 | P 1 21 1 | 10.836; 10.27; 7.296 90; 109.13; 90 | 767.103 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain II The Canadian Mineralogist, 2012, 50, 531-548 |
| 9014857 | CIF | H6 Mg O6 Si | P 21 21 21 | 4.976; 5.023; 7.115 90; 89.89; 90 | 177.835 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 9014858 | CIF | Be O | P 63 m c | 2.6983; 2.6983; 4.3776 90; 90; 120 | 27.602 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 2 in air Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9014859 | CIF | Fe0.85 Mg0.49 Mn1.66 O8 P2 | P 1 21/c 1 | 6.088; 4.814; 10.484 90; 89.42; 90 | 307.245 | Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J. Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina The Canadian Mineralogist, 2012, 50, 1445-1452 |
| 9014860 | CIF | Mg O3 Si | P b c a | 18.158; 8.78; 5.1574 90; 90; 90 | 822.23 | 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 = 1.23(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
| 9014863 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.473; 11.473; 11.473 90; 90; 90 | 1510.19 | 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 = 472.6 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014864 | CIF | Al7.209 B3 Ca0.583 F0.648 Fe0.015 H3.351 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.351 Pb0.006 Si6 Ti0.009 | R 3 m :H | 15.8449; 15.8449; 7.1053 90; 90; 120 | 1544.87 | 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: L13, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014869 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7506; 4.7506; 9.2811 90; 90; 90 | 209.458 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q5, treated at 600 C for 650 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014870 | CIF | Fe S4 Sb2 | P n a m | 11.1825; 13.753; 3.7359 90; 90; 90 | 574.555 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9014871 | CIF | B7 Cl Mg3 O13 | P c a 21 | 8.54; 8.54; 12.07 90; 90; 90 | 880.284 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of boracite Acta Crystallographica, 1951, 4, 310-316 |
| 9014872 | CIF | H K0.27 Mn2 O9.47 Si3.36 | A 1 2/a 1 | 5.533; 13.565; 25.09 90; 94; 90 | 1878.55 | Eggleton, R. A.; Guggenheim, S. A re-examination of the structure of ganophyllite Mineralogical Magazine, 1986, 50, 307-315 |
| 9014875 | CIF | Al7.194 B3 Ca0.563 F0.694 Fe0.015 H3.306 Li1.461 Mn0.33 Na0.354 O30.306 Pb0.026 Si6 | R 3 m :H | 15.8529; 15.8529; 7.1101 90; 90; 120 | 1547.47 | 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: L2, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014877 | CIF | C Ca O3 | R -3 c :H | 4.974; 4.974; 17.243 90; 90; 120 | 369.449 | 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 = 359 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014880 | CIF | Fe2 O3 | R -3 c :H | 5.0143; 5.0143; 13.6733 90; 90; 120 | 297.731 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 31.4 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014881 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A Note: Curran spectrometer Arkiv for Kemi, 1968, 28, 375-387 |
| 9014882 | CIF | Bi4 Cu0.26 Pb3.867 S10 | P n m a | 23.894; 4.0616; 19.143 90; 90; 90 | 1857.79 | Topa, D.; Makovicky, E. The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 2 The Canadian Mineralogist, 2010, 48, 1081-1107 |
| 9014883 | CIF | Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454 | R 3 m :H | 15.765; 15.765; 7.083 90; 90; 120 | 1524.53 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13 American Mineralogist, 2012, 97, 1591-1597 |
| 9014884 | CIF | Ca4 Na4 O18 Si6 | R -3 m :H | 10.429; 10.429; 13.149 90; 90; 120 | 1238.54 | Fischer, R. X.; Tillmanns, E. Die Kristallstrukturen von naturlichem Na2Ca2Si3O9 vom Mt.Shaheru (Zaire) und aus dem Mayener Feld (Eifel) Note: this is the high-temperature form of combeite Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 49-59 |
| 9014885 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1886; 3.7748; 6.5033 90; 107.72; 90 | 285.018 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37 American Mineralogist, 2012, 97, 910-917 |
| 9014886 | CIF | Fe O7 Ti3 | I m m 2 | 9.9522; 2.7397; 5.9953 90; 90; 90 | 163.468 | Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y. High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K American Mineralogist, 2012, 97, 568-572 |
| 9014887 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9692; 7.9873; 5.7796 90; 90; 90 | 229.395 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K American Mineralogist, 2012, 97, 707-712 |
| 9014888 | CIF | Al1.99 Ca2 Cr0.46 Fe0.08 Mg0.45 Mn0.02 O14 Si3 | C 1 2/m 1 | 19.1558; 5.9125; 8.844 90; 97.448; 90 | 993.209 | Hamada, M.; Akasaka, M.; Seto, S.; Makino, K. Crystal chemistry of chromian pumpellyite from Osayama, Okayama Prefecture, Japan Sample: ocp1013 American Mineralogist, 2010, 95, 1294-1304 |
| 9014889 | CIF | Ba0.985 Ca0.002 Mg0.002 O4 S Sr0.007 | P b n m | 7.15505; 8.88101; 5.45447 90; 90; 90 | 346.599 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
| 9014890 | CIF | Ca1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.66; 17.781; 5.233 90; 106.03; 90 | 863.894 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 4.84 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9014891 | CIF | C Ca O3 | R -3 c :H | 4.978; 4.978; 17.211 90; 90; 120 | 369.357 | 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 = 318 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014892 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86058; 13.17507; 6.89589 90; 90; 90 | 623.31 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9014893 | CIF | O3 V2 | R -3 c :H | 4.9018; 4.9018; 13.969 90; 90; 120 | 290.675 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 47 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014894 | CIF | Ba O7 Si2 Zn2 | C c m 21 | 7.6199; 13.0265; 6.7374 90; 90; 90 | 668.759 | Lin, J. H.; Lu, G. X.; Du, J.; Su, M. Z.; Loong, C. K.; Richardson, J. W. Phase transition and crystal structure of BaZn2Si2O7 Note: T = 350 C Journal of Physics and Chemistry of Solids, 1999, 60, 975-983 |
| 9014896 | CIF | Al1.61 Fe0.389 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 = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014898 | CIF | O3 V2 | R -3 c :H | 4.9199; 4.9199; 13.9787 90; 90; 120 | 293.029 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 28.3 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9014899 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.266; 12.266; 4.864 90; 90; 120 | 633.768 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.16 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014901 | CIF | C2 H30 Mg O18 S2 | R -3 :H | 9.2715; 9.2715; 21.1298 90; 90; 120 | 1572.99 | Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T. Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K Crystal Growth & Design, 2010, 10, 4327-4333 |
| 9014902 | CIF | F H O Zn | P n m a | 10.228; 3.1125; 4.7165 90; 90; 90 | 150.148 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007) Mineralogical Magazine, 2012, 76, 25-36 |
| 9014903 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.6044; 11.6044; 11.6044 90; 90; 90 | 1562.67 | Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond European Journal of Mineralogy, 2012, 24, 599-606 |
| 9014904 | CIF | C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 | P 63 | 12.617; 12.617; 5.129 90; 90; 120 | 707.091 | 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# mmf28962 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9014905 | CIF | Cl F6 Pb3.5 | P -6 | 10.267; 10.267; 3.9844 90; 90; 120 | 363.731 | Merlino, S.; Pasero, M.; Perchiazzi, N.; Kampf, A. R. Laurelite: Its crystal structure and relationship to alpha-PbF2 American Mineralogist, 1996, 81, 1277-1281 |
| 9014906 | CIF | Ca0.51 Fe0.33 Mg0.35 Mn3.81 O15 Si5 | P -1 | 6.6818; 7.633; 11.795 105.49; 92.49; 94.01 | 577.092 | Leverett, P.; Williams, P. A.; Hibbs, D. E. Ca-Mg-Fe-rich rhodonite from the Morro da Mina mine, Conselheiro Lafaiete, Minas Gerais, Brazil The Mineralogical Record, 2008, 39, 125-130 |
| 9014907 | CIF | C2 H5 N O | R 3 c :H | 11.513; 11.513; 12.883 90; 90; 120 | 1478.85 | Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299 |
| 9014909 | CIF | C1.72 H18 O10 | F d -3 m :1 | 17.175; 17.175; 17.175 90; 90; 90 | 5066.29 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014910 | CIF | Cu2 O7 V2 | P 1 | 7.687; 5.54982; 10.09 104; 110.45; 46.17 | 290.958 | Yashima, M.; Suzuki, R. O. Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting Physical Review B, 2009, 79, 125201-125206 |
| 9014911 | CIF | Ca0.055 Fe0.08 Mg0.055 Mn0.215 Na4.75 Nb0.255 O13 P Si2 Ta0.005 Ti1.415 Zr0.055 | P -1 | 5.417; 7.119; 14.487 99.957; 96.711; 90.36 | 546.286 | Camara, F.; Sokolova, E.; Hawthorne, F. C.; Abdu, Y. From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals Mineralogical Magazine, 2008, 72, 1207-1228 |
| 9014913 | CIF | B La O5 Si | P 31 | 6.874; 6.874; 6.717 90; 90; 120 | 274.869 | Chi, L.; Chen, H.; Zhuang, H.; Huang, J. Crystal structure of LaBSiO5 Journal of Alloys and Compounds, 1997, 252, L12-L15 |
| 9014914 | CIF | As0.06 H4 Mn5 O12 P1.76 Si0.18 | P 21 21 21 | 17.9733; 5.6916; 9.13 90; 90; 90 | 933.97 | Elliott, P.; Pring, A. The crystal structure of gatehouseite Mineralogical Magazine, 2011, 75, 2823-2832 |
| 9014915 | CIF | Al90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90 | P 3 | 12.913; 12.913; 79.605 90; 90; 120 | 11495.4 | Rastsvetaeva, R. K.; Chukanov, N. V. Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group Crystallography Reports, 2008, 53, 981-988 |
| 9014916 | CIF | Al7.407 B3 Ca0.032 F0.48 Fe0.018 H3.33 K0.004 Li0.483 Mn1.143 Na0.773 O30.52 Si5.826 Ti0.006 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample P6 American Mineralogist, 2003, 88, 1369-1376 |
| 9014918 | CIF | Ca6 Cl0.286 H1.72 O12.714 Si3 | P -1 | 6.8126; 6.9416; 12.9412 90.582; 97.552; 98.251 | 600.143 | Armbruster, T.; Lazic, B.; Gfeller, F.; Galuskin, E. V.; Galuskina, I. O.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P. Chlorine content and crystal chemistry of dellaite from the Birkhin gabbro massif, Eastern Siberia, Russia Note: Cl-containing dellaite Mineralogical Magazine, 2011, 75, 379-394 |
| 9014919 | CIF | H12 Mg3.84 O22 Si6 | P n c n | 13.4074; 27.0244; 5.2767 90; 90; 90 | 1911.89 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample NOR25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9014921 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.785; 9.1324; 5.1924 90; 101.751; 90 | 454.271 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K American Mineralogist, 2012, 97, 694-706 |
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