Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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