Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016355 | CIF | Li0.4 O3 Sb | P n c n | 4.726; 8.659; 5.2306 90; 90; 90 | 214.049 | 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 1000142 Materials Research Bulletin, 1989, 24, 1207-1214 |
| 9016356 | CIF | Ru S2 | P a -3 | 5.6106; 5.6106; 5.6106 90; 90; 90 | 176.615 | Lutz, H. D.; Muller, B.; Schmidt, T.; Stingl, T. Structure refinement of pyrite-type ruthenium disulfide, RuS2, and ruthenium diselenide, RuSe2 Acta Crystallographica, Section C, 1990, 46, 2003-2005 |
| 9016358 | CIF | Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 | R 3 2 :H | 12.877; 12.877; 95.244 90; 90; 120 | 13677.2 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A. Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2012, 97, 1494-1504 |
| 9016361 | CIF | Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 | R -3 c :H | 13.093; 13.093; 102.682 90; 90; 120 | 15244.2 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M. Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion American Mineralogist, 2012, 97, 1446-1451 |
| 9016362 | CIF | Al1.99 Cu0.41 Mg0.59 O4 | F d -3 m :2 | 8.0852; 8.0852; 8.0852 90; 90; 90 | 528.533 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw American Mineralogist, 2012, 97, 1821-1827 |
| 9016363 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1471; 8.1471; 8.1471 90; 90; 90 | 540.766 | 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 = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016364 | CIF | Al1.459 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1684; 8.1684; 8.1684 90; 90; 90 | 545.018 | 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 550 C Annealing time = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016365 | CIF | Fe4 H12.5 O12.25 | I m m m | 7.544; 7.56; 7.558 90; 90; 90 | 431.053 | Birch, W. D.; Pring, A.; Reller, A.; Schmalle, H. W. Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Description and structure American Mineralogist, 1993, 78, 827-834 |
| 9016367 | CIF | B Ce O5 Si | P 31 | 6.844; 6.844; 6.7 90; 90; 120 | 271.785 | Callegari, A.; Giuseppetti, G.; Mazzi, F.; Tadini, C. The refinement of the crystal structure of stillwellite: RE[BSiO5] Neues Jahrbuch fur Mineralogie, Monatshefte, 1992, 1992, 49-57 |
| 9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | 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 P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 9016370 | 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 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016372 | CIF | C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 | C 1 2 1 | 5.205; 9.033; 32.077 90; 93.49; 90 | 1505.36 | Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X. Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables. American Mineralogist, 2012, 97, 281-290 |
| 9016374 | CIF | As2 Fe2 Sr | I 4/m m m | 3.9243; 3.9243; 12.3644 90; 90; 90 | 190.413 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9016375 | CIF | Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 | P 63/m m c | 15.739; 15.739; 9.127 90; 90; 120 | 1958 | Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9016376 | CIF | Pt Sb2 | P a -3 | 6.44; 6.44; 6.44 90; 90; 90 | 267.09 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016377 | CIF | Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S | F d -3 :2 | 16.749; 16.749; 16.749 90; 90; 90 | 4698.58 | Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A. Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy European Journal of Mineralogy, 2012, 24, 1069-1076 |
| 9016378 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7475; 4.7475; 9.269 90; 90; 90 | 208.912 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q1, treated at 700 C for 210 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016383 | CIF | Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 | I m c b | 11.476; 15.744; 7.228 90; 90; 90 | 1305.94 | Hatert, F.; Lefevre, P.; Fransolet, A. M. The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4] The Canadian Mineralogist, 2011, 49, 1079-1087 |
| 9016384 | CIF | Al0.03 Ba0.87 Ca0.02 F0.65 Fe0.11 H0.89 K0.2 Mg0.04 Mn0.4 Na2.84 Nb0.04 O17.35 Si4 Sr0.47 Ti2.82 | P n m n | 19.564; 7.1173; 5.4144 90; 90; 90 | 753.917 | Sokolova, E.; Hawthorne, F. C. From structure topology to chemical composition. IV. Titanium silicates: The orthorhombic polytype of nabalamprophyllite from Lovozero Massif, Kola Peninsula, Russia Note: polytype nabalamprophyllite-2O The Canadian Mineralogist, 2008, 46, 1323-1331 |
| 9016385 | CIF | Mg2 O4 Si | P b n m | 4.7534; 10.1902; 5.9783 90; 90; 90 | 289.577 | 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 |
| 9016387 | CIF | As2 H8 Mg O16 U2 | C 1 2/m 1 | 18.207; 7.062; 6.661 90; 99.65; 90 | 844.338 | Bachet, B.; Brassy, C. Structure of Mg[(UO2)(AsO4)]2*4H2O Acta Crystallographica, Section C, 1991, 47, 2013-2015 |
| 9016388 | CIF | Fe S4 Sb2 | P n a m | 11.4164; 14.1705; 3.7632 90; 90; 90 | 608.796 | 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 = 0.0001 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9016391 | CIF | Al6.606 B3 Ca0.017 F0.106 Fe1.044 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015 | R 3 m :H | 15.935; 15.935; 7.164 90; 90; 120 | 1575.4 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T17-92 American Mineralogist, 1999, 84, 922-928 |
| 9016392 | CIF | Al2.892 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9897; 6.9897; 17.574 90; 90; 120 | 743.564 | 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 = 400 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016394 | CIF | Cl6 K4 Mn | R -3 c :R | 8.468; 8.468; 8.468 89.53; 89.53; 89.53 | 607.154 | Bellanca, A. La struttura della cloromanganocalite Periodico di Mineralogia, 1947, 16, 73-88 |
| 9016395 | CIF | H24 N6 O19 P6 | R -3 :H | 15.445; 15.445; 7.553 90; 90; 120 | 1560.36 | Averbuch-Pouchot M Structure of ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008850 Acta Crystallographica, Section C, 1989, 45, 539-540 |
| 9016396 | CIF | Be2 Ca0.3 Dy0.4 Fe0.242 O10 Si2 Y1.3 | P 1 21/a 1 | 9.883; 7.6091; 4.7423 90; 90.342; 90 | 356.618 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Okamoto, A. Hingganite-(Ce) and hingganite-(Y) from Tahara, Hirukawa-mura, Gifu Prefecture, Japan: The description on a new mineral species of the Ce-analogue of hingannite-(Y) with a refinement of the crystal structure of hingganite-(Y) Journal of Mineralogical and Petrological Sciences, 2007, 102, 1-7 |
| 9016397 | CIF | Al3 Be2 F2 K0.983 Na6.017 O39 Si15 | P -3 m 1 | 14.386; 14.386; 4.873 90; 90; 120 | 873.388 | Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G. Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway European Journal of Mineralogy, 2010, 22, 875-880 |
| 9016399 | CIF | Hg Pt2 Se3 | P -3 m 1 | 7.3477; 7.3477; 5.2955 90; 90; 90 | 285.897 | Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J. Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil The Canadian Mineralogist, 2012, 50, 431-440 |
| 9016400 | CIF | O2 Si | P 1 21/c 1 | 8.011; 4.544; 8.89 90; 121; 90 | 277.391 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.5 GPa, data transformed from Dove et al (2000) Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016401 | CIF | Al5.439 B3 Ca0.368 F0.495 Fe1.143 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033 | R 3 m :H | 15.965; 15.965; 7.199 90; 90; 120 | 1589.06 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample #32008 American Mineralogist, 1999, 84, 922-928 |
| 9016403 | CIF | O2 Si | P 41 21 2 | 4.746; 4.746; 6.445 90; 90; 90 | 145.171 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 3.6 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9016405 | CIF | Ce O4 P | P 1 21/n 1 | 6.76; 7; 6.44 90; 103.63; 90 | 296.159 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9016407 | CIF | Ba Cr2 O13 P | P -1 | 10.189; 8.207; 7.749 108.8; 107.14; 89.04 | 583.971 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O Acta Crystallographica, Section B, 1977, 33, 1431-1435 |
| 9016408 | CIF | Be O | P 63 m c | 2.6928; 2.6928; 4.3705 90; 90; 120 | 27.445 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 1.1 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016410 | CIF | C Fe O3 | R -3 c :H | 4.5; 4.5; 13.25 90; 90; 120 | 232.365 | 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 P16, P = 44.14 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016411 | CIF | Al2 Ca0.965 H4 O10 Si2 Sr0.035 | C m c m | 5.8415; 8.7916; 13.136 90; 90; 90 | 674.614 | 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 #AU78 American Mineralogist, 2010, 95, 724-735 |
| 9016413 | CIF | F2 Sr | F m -3 m | 5.713; 5.713; 5.713 90; 90; 90 | 186.463 | Yakovenchuk, V. N.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Korchak, J. A.; Nikolaev, A. P. Strontiofluorite, SrF2, a new mineral species from the Khibiny Massif, Kola Peninsula, Russia The Canadian Mineralogist, 2010, 48, 1487-1492 |
| 9016416 | CIF | Al1.461 Fe0.54 Mg0.999 O4 | F d -3 m :2 | 8.1694; 8.1694; 8.1694 90; 90; 90 | 545.218 | 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 = 45 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016420 | CIF | Al7.308 B3 Ca0.011 F0.48 Fe0.021 H3.25 K0.002 Li0.378 Mn1.233 Na0.693 O30.57 Si5.928 | R 3 m :H | 15.9466; 15.9466; 7.1384 90; 90; 120 | 1572.06 | 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 BT American Mineralogist, 2003, 88, 1369-1376 |
| 9016422 | CIF | Cr N | F m -3 m | 4.148; 4.148; 4.148 90; 90; 90 | 71.37 | Nolze, G.; Wagner, G.; Saliwan Neumann, R.; Skála R; Geist, V. Orientation relationships of carlsbergite in schreibersite and kamacite in the north Chile iron meteorite Mineralogical Magazine, 2006, 70, 373-382 |
| 9016424 | CIF | Ag0.986 Bi2.905 Pb S6 Sb0.109 | P 1 21/c 1 | 7.0567; 19.6905; 8.2219 90; 106.961; 90 | 1092.74 | Makovicky, E.; Topa, D. The crystal structure of gustavite, PbAgBi3S6 Analysis of twinning and polytypism using the OD approach European Journal of Mineralogy, 2011, 23, 537-550 |
| 9016425 | CIF | Ag0.44 Bi13.19 Cu4 Pb12.27 S34 | C 1 2/m 1 | 37.432; 4.0529; 43.545 90; 108.8; 90 | 6253.69 | Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G. Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania The Canadian Mineralogist, 2012, 50, 353-370 |
| 9016426 | CIF | Ce O4 V | I 41/a m d :2 | 7.3308; 7.3308; 6.4356 90; 90; 90 | 345.853 | Chakoumakos, B. C.; Abraham, M. M.; Boatner, L. A. Crystal structure refinements of zircon-type MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu) Journal of Solid State Chemistry, 1994, 109, 197-202 |
| 9016427 | CIF | Cr2 O3 | R -3 c :H | 4.605; 4.605; 12.854 90; 90; 120 | 236.063 | 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 = 70.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
| 9016430 | CIF | Al K0.982 O4 Si | P 3 1 c | 5.1627; 5.1627; 8.7352 90; 90; 120 | 201.631 | 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 = 250 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016433 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.0889; 8.0889; 8.0889 90; 90; 90 | 529.259 | 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 = 396 K American Mineralogist, 2012, 97, 573-582 |
| 9016434 | CIF | Al2 Cu0.44 Mg0.56 O4 | F d -3 m :2 | 8.0846; 8.0846; 8.0846 90; 90; 90 | 528.416 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm American Mineralogist, 2012, 97, 1821-1827 |
| 9016435 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016436 | CIF | Cs6 Mo7 O38 P7 | P n m a | 10.084; 21.297; 17.491 90; 90; 90 | 3756.35 | Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B. A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603 Journal of Solid State Chemistry, 1994, 111, 315-321 |
| 9016437 | CIF | Cl H | B b 21 m | 5.053; 5.373; 5.825 90; 90; 90 | 158.147 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K Nature, 1967, 213, 171-172 |
| 9016439 | CIF | As8 S9 | P 1 2/c 1 | 9.9342; 9.5566; 9.1104 90; 102.397; 90 | 844.749 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
| 9016441 | CIF | Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25 | B 1 1 2/b | 16.476; 24.581; 9.996 90; 90; 105.79 | 3895.58 | Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V. Crystal structure of arrojadite Kristallografiya, 1979, 24, 743-750 |
| 9016445 | CIF | Al2.889 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9859; 6.9859; 17.481 90; 90; 120 | 738.825 | 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 = 300 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016449 | CIF | Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 | R -3 :H | 10.3894; 10.3894; 20.8709 90; 90; 120 | 1950.98 | Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G. Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group European Journal of Mineralogy, 2012, 24, 1061-1067 |
| 9016450 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3382; 11.3382; 9.6584 90; 90; 120 | 1075.29 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016452 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8298; 7.6002; 9.6321 90; 90.183; 90 | 353.568 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 130 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016453 | CIF | C3 H2 K3 Na O12 U | P -6 2 c | 9.3; 9.3; 8.294 90; 90; 120 | 621.242 | 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 B Mineralogical Magazine, 2012, 76, 443-453 |
| 9016457 | CIF | Fe2 O3 | R -3 c :H | 5.0066; 5.0066; 13.6411 90; 90; 120 | 296.119 | Finger, L. W.; Hazen, R. M. Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 43.9 kbar Journal of Applied Physics, 1980, 51, 5362-5367 |
| 9016458 | CIF | As S | P 1 21/n 1 | 8.719; 12.634; 6.149 90; 107.1; 90 | 647.405 | 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 = 5.40 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016464 | CIF | C Ca O3 | R -3 c :H | 4.9775; 4.9775; 17.2949 90; 90; 120 | 371.083 | 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016465 | CIF | Ba10 O24 P6 S | P -3 | 10.252; 10.252; 7.659 90; 90; 120 | 697.14 | Henning, P. A.; Adolfsson, E.; Grins, J. The chalcogenide phosphate apatites Ca10(PO4)6S, Sr10(PO4)6S, Ba10(PO4)6S and Ca10(PO4)6Se Zeitschrift fur Kristallographie, 2000, 215, 226-230 |
| 9016466 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7561; 4.7561; 9.2748 90; 90; 90 | 209.8 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016467 | CIF | Mg1.92 O4 Si0.98 | F d -3 m :2 | 8.0777; 8.0777; 8.0777 90; 90; 90 | 527.064 | 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 = 243 K American Mineralogist, 2012, 97, 573-582 |
| 9016470 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3246; 14.4558; 5.5273 90; 90; 90 | 425.444 | 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 = 6.267 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016471 | CIF | Ca8 O18 Si5 | P b c n | 5.0851; 11.4165; 28.6408 90; 90; 90 | 1662.71 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016473 | CIF | Al6.567 B3 Ca0.016 F0.301 Fe1.047 H3.234 K0.015 Li0.006 Mg1.305 Mn0.018 Na0.684 O30.699 Si6 Ti0.024 V0.006 | R 3 m :H | 15.934; 15.934; 7.167 90; 90; 120 | 1575.86 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample SmFalls American Mineralogist, 1999, 84, 922-928 |
| 9016474 | CIF | Al1.459 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | 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 = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016476 | CIF | C Fe O3 | R -3 c :H | 4.502; 4.502; 13.23 90; 90; 120 | 232.221 | 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 P15, P = 43.9 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016477 | CIF | Al2.68 Ba0.01 Fe0.14 H2 K0.93 Mg0.1 Mn0.02 Na0.05 O12 Si3.04 Ti0.02 | C 1 2/c 1 | 5.2044; 9.018; 20.073 90; 95.82; 90 | 937.236 | Knurr, R. A.; Bailey, S. W. Refinement of Mn-substituted muscovite and phlogopite Sample: alurgite, type 2M1 Clays and Clay Minerals, 1986, 34, 7-16 |
| 9016478 | CIF | Al7.149 B3 Ca0.06 F0.759 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 | R 3 m :H | 15.8933; 15.8933; 7.1222 90; 90; 120 | 1558.02 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF American Mineralogist, 2013, 98, 297-303 |
| 9016479 | CIF | Al H Li O5 P | P -1 | 5.18; 7.15; 5.004 112.12; 97.8; 67.88 | 159.051 | Baur, W. H. Die Kristallstruktur des Edelamblygonits LiAlPO4(OH,F) Acta Crystallographica, 1959, 12, 988-994 |
| 9016480 | CIF | Fe | F m -3 m | 3.519; 3.519; 3.519 90; 90; 90 | 43.577 | 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 = 15.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016482 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0545; 11.0545; 10.4131 90; 90; 120 | 1102.02 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 301 K American Mineralogist, 2012, 97, 1060-1069 |
| 9016484 | CIF | Al K0.98 O4 Si | P 3 1 c | 5.1589; 5.1589; 8.7438 90; 90; 120 | 201.532 | 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 = 175 K American Mineralogist, 2010, 95, 1027-1034 |
| 9016487 | CIF | Al4 Ca2 H4.92 O19 Si4 | C 1 2/c 1 | 21.524; 8.667; 9.292 90; 91.067; 90 | 1733.11 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 150 C American Mineralogist, 2012, 97, 1866-1873 |
| 9016491 | CIF | C Fe O3 | R -3 c :H | 4.607; 4.607; 14.415 90; 90; 120 | 264.961 | 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 P5, P = 14.4 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016492 | CIF | Ge O2 | P 42/m n m | 4.4066; 4.4066; 2.8619 90; 90; 90 | 55.573 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 9016493 | CIF | Fe0.11 S0.99 Zn0.9 | F -4 3 m | 5.4174; 5.4174; 5.4174 90; 90; 90 | 158.991 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample J1215P Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016494 | CIF | Al7.149 B3 Ca0.6 F0.76 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 | R 3 m :H | 15.8933; 15.8933; 7.1222 90; 90; 120 | 1558.02 | Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C. Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF American Mineralogist, 2013, 98, 297-303 |
| 9016495 | CIF | Ca Fe0.12 Mg0.88 O4 Si | P n m a | 11.1098; 6.3894; 4.8281 90; 90; 90 | 342.722 | Pilati, T.; Demartin, F.; Gramaccioli, C. M. Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Acta Crystallographica, Section B, 1995, 51, 721-733 |
| 9016497 | CIF | Al2.916 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9916; 6.9916; 17.621 90; 90; 120 | 745.958 | 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 = 450 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016498 | CIF | Al H Na2 O9 Si3 | P -1 | 7.2474; 7.6813; 8.6432 90.835; 99.771; 122.581 | 396.295 | Williams, E. R.; Weller, M. T. A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K Physics and Chemistry of Minerals, 2012, 39, 471-478 |
| 9016499 | CIF | C Fe O3 | R -3 c :H | 4.372; 4.372; 12.72 90; 90; 120 | 210.561 | 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 P20-1, P = 46.92 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016501 | CIF | C D K O3 | P 1 21/a 1 | 15.1311; 5.6054; 3.6644 90; 103.953; 90 | 301.629 | 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 = 95 K Acta Crystallographica, Section B, 1974, 30, 1155-1166 |
| 9016502 | CIF | Al2 Ca0.95 Fe0.9 H18 Mg2 Na0.11 O26 P4 | P 1 2/a 1 | 14.87; 6.9785; 9.9268 90; 110.11; 90 | 967.306 | Capitelli, F.; Chita, G.; Cavallo, A.; Bellatreccia, F.; Ventura, G. Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada Zeitschrift fur Kristallographie, 2011, 226, 731-738 |
| 9016503 | CIF | Cu62 S31 | P 1 21/n 1 | 26.897; 15.745; 13.565 90; 90.13; 90 | 5744.67 | Evans, H. T. Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies Science, 1979, 203, 356-358 |
| 9016504 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1461; 8.1461; 8.1461 90; 90; 90 | 540.567 | 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 = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016506 | CIF | Fe | F m -3 m | 3.507; 3.507; 3.507 90; 90; 90 | 43.133 | 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 = 17.47 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016509 | CIF | C H O4 Tm | P 42/n m c :2 | 9.3951; 9.3951; 7.7546 90; 90; 90 | 684.482 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016511 | CIF | Al2 Cu0.7 Mg0.3 O4 | F d -3 m :2 | 8.0831; 8.0831; 8.0831 90; 90; 90 | 528.122 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dm American Mineralogist, 2012, 97, 1821-1827 |
| 9016512 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8308; 7.6011; 9.629 90; 90.176; 90 | 353.569 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 190 K American Mineralogist, 2010, 95, 1413-1421 |
| 9016514 | CIF | H1.68 Na O7.34 Si2 Ti | A 1 2/a 1 | 5.219; 8.691; 25.01 90; 104.43; 90 | 1098.62 | Rastsvetaeva, R. K.; Andrianov, V. I. Refined crystal structure of vinogradovite Soviet Physics Crystallography, 1984, 29, 403-406 |
| 9016517 | CIF | As3 Ir | I m -3 | 8.4673; 8.4673; 8.4673 90; 90; 90 | 607.065 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9016519 | CIF | Cl5 Cu6 H7 O13 Pb3 Te | R -3 :H | 8.4035; 8.4035; 44.681 90; 90; 120 | 2732.59 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets American Mineralogist, 2013, 98, 506-511 |
| 9016520 | CIF | Al2 Ca H2 Mg3 Na O24 Si8 | C 1 2/m 1 | 9.9; 18.04; 5.33 90; 106.75; 90 | 911.528 | Heritsch, H.; Paulitsch, P.; Walitzi, E. M. Die Struktur von Karinthin und einer barroisitischen Hornblende Note: this is not a good structure Tschermaks Mineralogische und Petrographische Mitteilungen, 1957, 6, 215-222 |
| 9016521 | CIF | Cu4 H6 O10 S | P 1 21/a 1 | 13.1117; 9.8654; 6.0307 90; 103.255; 90 | 759.302 | Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S. Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite European Journal of Mineralogy, 2010, 22, 453-457 |
| 9016523 | CIF | As2 Fe2 Sr | F m m m | 5.5783; 5.5175; 12.2965 90; 90; 90 | 378.465 | Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D. Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 90 K Journal of Physics: Condensed Matter, 2008, 20, 452201_1-452201_5 |
| 9016524 | CIF | Be O | P 63 m c | 2.6883; 2.6883; 4.3614 90; 90; 120 | 27.297 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 2.2 GPa Journal of Applied Physics, 1986, 59, 3728-3733 |
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