Crystallography Open Database

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9017904 CIFFe H14.1 K4 Na10 O50.3 Si16C m c m28.866; 10.707; 17.425
90; 90; 90
5385.51Panikorovskii, T. L.; Pekov, I. V.; Krzhizhanovskaya, M. G.; Yakovenchuk, V. N.; Britven, S. N.; Gurzhiy, V. V.; Bocharov, V. N.; Yapaskurt, V. O.; Krivovichev, S. V.
Tiettaite K4Na12Fe3+Si16O41(OH)4·2H2O: A mineral with a novel type of microporous heteropolyhedral framework
Crystallography Reports, 2021, 66, 76-85
9017853 CIFBr0.03 Cl0.02 I0.95 TlC m c m4.567; 12.803; 5.202
90; 90; 90
304.168Okrugin, V.; Favero, M.; Liu, A.; Etschmann, B.; Plutachina, E.; Mills, S.; Tomkins, A. G.; Lukasheva, M.; Kozlov, V.; Moskaleva, S.; Chubarov, M.; Brugger, J.
Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia Note: T = 100 (2) K
American Mineralogist, 2017, 102, 1736-1746
9017850 CIFFe1.21 Mg0.19 O5 Ti1.6C m c m3.7325; 9.7649; 9.9902
90; 90; 90
364.118Kazheva, O. N.; Zubkova, N. V.; Schafer, C.; Chukanov, N. V.; Pekov, I. V.; Britvin, S. N.; Pushcharovsky, D. Y.
The pseudobrookite group: crystal chemical features of the armalcolite Fe2+ analogue
Doklady Earth Sciences, 2021, 497, 305-309
9017812 CIFFe0.07 Mg0.93 O3 SiC m c m2.466; 8.13; 6.108
90; 90; 90
122.457Zhang, L.; Meng, Y.; Dera, P.; Yang, W.; Mao, W. L.; Mao, H.-K.
Single-crystal structure determination of (Mg,Fe)SiO3 postperovskite Note: P = 120 GPa
Proceedings of the National Academy of Sciences, 2013, 110, 6292-6295
9017651 CIFFe4 O5C m c m2.8964; 9.8225; 12.5808
90; 90; 90
357.922Guignard, J.; Crichton, W. A.
Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self- similar series of structures for the lower mantle and transition zone
Mineralogical Magazine, 2014, 78, 361-371
9017589 CIFCs0.214 Fe1.72 H6.129 O23 Pb1.146 W5.28C m c m7.298; 12.64; 19.582
90; 90; 90
1806.38Grey, I. E.; Mumme, W. G.; MacRae, C. M.
Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered pyrochlore-hexagonal tungsten bronze intergrowth structure
Mineralogical Magazine, 2013, 77, 57-67
9017576 CIFAl1.5 Be2.503 Ca3.989 H2 Na0.015 O28 Si8.997C m c m23.1961; 4.9937; 19.4296
90; 90; 90
2250.61Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 41BAV
Mineralogical Magazine, 2011, 75, 213-239
9017575 CIFAl1.02 Be2.942 Ca3.932 H2 Na0.03 O28 Si9.038C m c m23.1895; 4.9725; 19.4488
90; 90; 90
2242.64Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 40BAV
Mineralogical Magazine, 2011, 75, 213-239
9017574 CIFAl1.351 Be2.667 Ca4 H2 Na0.018 O28 Si8.982C m c m23.2051; 4.9986; 19.4375
90; 90; 90
2254.61Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 39BAV
Mineralogical Magazine, 2011, 75, 213-239
9017573 CIFAl1.405 Be2.578 Ca3.956 H2 Na0.027 O28 Si9.017C m c m23.2272; 5.0028; 19.4518
90; 90; 90
2260.32Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 37BAV
Mineralogical Magazine, 2011, 75, 213-239
9017572 CIFAl1.66 Be2.301 Ca3.943 H2 Na0.018 O28 Si9.039C m c m23.2043; 5.0005; 19.4426
90; 90; 90
2255.99Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 36ABAV
Mineralogical Magazine, 2011, 75, 213-239
9017571 CIFAl0.59 Be3.358 Ca3.803 H2 Na0.145 O28 Si9.052C m c m23.251; 4.9734; 19.4678
90; 90; 90
2251.19Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 35BAV
Mineralogical Magazine, 2011, 75, 213-239
9017570 CIFAl1.664 Be2.37 Ca4 H2 Na0.01 O28 Si8.966C m c m23.1949; 5.0067; 19.437
90; 90; 90
2257.22Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 33BAV
Mineralogical Magazine, 2011, 75, 213-239
9017569 CIFAl1.105 Be2.885 Ca3.977 H2 Na0.014 O28 Si9.01C m c m23.1995; 4.9743; 19.4255
90; 90; 90
2241.73Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 32BAV
Mineralogical Magazine, 2011, 75, 213-239
9017568 CIFAl1.597 Be2.427 Ca4 H2 Na0.022 O28 Si8.976C m c m23.2096; 5.002; 19.4386
90; 90; 90
2256.71Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 31BAV
Mineralogical Magazine, 2011, 75, 213-239
9017567 CIFAl1.095 Be2.88 Ca3.966 H2 Na0.009 O28 Si9.025C m c m23.2066; 4.996; 19.4373
90; 90; 90
2253.56Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 29BAV
Mineralogical Magazine, 2011, 75, 213-239
9017566 CIFAl1.867 Be2.15 Ca4 H2 Na0.006 O28 Si8.983C m c m23.2074; 5.0098; 19.4477
90; 90; 90
2261.08Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 28BAV
Mineralogical Magazine, 2011, 75, 213-239
9017565 CIFAl1.801 Be2.13 Ca3.919 H2 Na0.012 O28 Si9.069C m c m23.209; 5.0129; 19.4494
90; 90; 90
2262.83Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 27BAV
Mineralogical Magazine, 2011, 75, 213-239
9017564 CIFAl1.745 Be2.277 Ca4 H2 Na0.015 O28 Si8.978C m c m23.212; 5.0043; 19.4439
90; 90; 90
2258.6Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 25BAV
Mineralogical Magazine, 2011, 75, 213-239
9017563 CIFAl1.301 Be2.701 Ca4 H2 Na0.012 O28 Si8.989C m c m23.197; 4.9847; 19.416
90; 90; 90
2245.07Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 23BAV
Mineralogical Magazine, 2011, 75, 213-239
9017562 CIFAl1.816 Be2.22 Ca4 H2 Na0.003 O28 Si8.964C m c m23.2077; 5.0096; 19.4422
90; 90; 90
2260.38Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 21BAV
Mineralogical Magazine, 2011, 75, 213-239
9017561 CIFAl1.718 Be2.26 Ca3.976 H2 Na0.003 O28 Si9C m c m23.2075; 5.0063; 19.4428
90; 90; 90
2258.94Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 19BAV
Mineralogical Magazine, 2011, 75, 213-239
9017560 CIFAl1.882 Be2.178 Ca4 H2 Na0.009 O28 Si8.94C m c m23.1995; 5.0111; 19.4454
90; 90; 90
2260.62Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 15BAV
Mineralogical Magazine, 2011, 75, 213-239
9017559 CIFAl0.923 Be3.08 Ca3.977 H2 Na0.026 O28 Si8.997C m c m23.2066; 4.9681; 19.4085
90; 90; 90
2237.66Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 14BAV
Mineralogical Magazine, 2011, 75, 213-239
9017558 CIFAl1.499 Be2.49 Ca3.953 H2 Na0.036 O28 Si9.011C m c m23.2164; 5.0023; 19.4447
90; 90; 90
2258.22Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 13BAV
Mineralogical Magazine, 2011, 75, 213-239
9017557 CIFAl0.622 Be3.21 Ca3.745 H2 Na0.087 O28 Si9.168C m c m23.198; 4.962; 19.4262
90; 90; 90
2236.12Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 12BAV
Mineralogical Magazine, 2011, 75, 213-239
9017556 CIFAl1.053 Be2.995 Ca4 H2 Na0.006 O28 Si8.952C m c m23.211; 4.9721; 19.4189
90; 90; 90
2241.08Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 11BAV
Mineralogical Magazine, 2011, 75, 213-239
9017555 CIFAl0.598 Be2.811 Ca3.946 H2 Na0.037 O28 Si9.223C m c m23.2068; 4.9929; 19.434
90; 90; 90
2251.8Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 10BAV
Mineralogical Magazine, 2011, 75, 213-239
9017554 CIFAl1.481 Be2.46 Ca3.917 H2 Na0.024 O28 Si9.059C m c m23.2028; 4.9805; 19.429
90; 90; 90
2245.25Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 7BAV
Mineralogical Magazine, 2011, 75, 213-239
9017553 CIFAl1.179 Be2.811 Ca3.94 H2 Na0.05 O28 Si9.01C m c m23.208; 4.9833; 19.4266
90; 90; 90
2246.73Lussier, A. J.; Hawthorne, F. C.
Short-range constraints on chemical and structural variations in bavenite Sample: 2ABAV
Mineralogical Magazine, 2011, 75, 213-239
9017417 CIFFe H O2C m c m3.072; 12.516; 3.873
90; 90; 90
148.914Zhukhlistov, A. P.
Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data
Crystallography Reports, 2001, 46, 730-733
9017381 CIFFe H2 O2C m c m3.07; 12.53; 3.876
90; 90; 90
149.098Christensen, A. N.; Lehmann, M. S.; Convert, P.
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Acta Chemica Scandinavica A, 1982, 36, 303-308
9017379 CIFAl H2 O2C m c m2.876; 12.24; 3.709
90; 90; 90
130.565Christensen, A. N.; Lehmann, M. S.; Convert, P.
Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
Acta Chemica Scandinavica A, 1982, 36, 303-308
9017092 CIFFe2.017 Mg1.983 O5C m c m2.8889; 9.7282; 12.5523
90; 90; 90
352.767Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B.
Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member
American Mineralogist, 2015, 100, 628-632
9017077 CIFCr2 Fe O4C m c m2.88445; 9.5207; 9.7532
90; 90; 90
267.842Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.
High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
American Mineralogist, 2014, 99, 1788-1797
9016917 CIFFe2 O4 TiC m c m2.685; 9.228; 9.099
90; 90; 90
225.448Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 50 GPa
American Mineralogist, 2013, 98, 736-744
9016411 CIFAl2 Ca0.965 H4 O10 Si2 Sr0.035C m c m5.8415; 8.7916; 13.136
90; 90; 90
674.614Liebscher, 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
9016324 CIFAg2.33 Bi4.612 Pb2.058 S10C m c m4.084; 13.453; 33.932
90; 90; 90
1864.29Topa, D.; Makovicky, E.; Schimper, H. J.; Dittrich, H.
The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series
The Canadian Mineralogist, 2010, 48, 1127-1135
9016164 CIFAl Be3 Ca4 H3 O28 Si9C m c m23.1965; 4.9741; 19.4221
90; 90; 90
2240.96Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.
Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals
American Mineralogist, 2010, 95, 519-526
9016042 CIFAl2 Ca0.82 H4 O10 Si2 Sr0.18C m c m5.8433; 8.8169; 13.1726
90; 90; 90
678.65Liebscher, 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 #AU83
American Mineralogist, 2010, 95, 724-735
9015922 CIFAl2 Ca0.982 H4 O10 Si2 Sr0.018C m c m5.8422; 8.7904; 13.1344
90; 90; 90
674.521Liebscher, 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 #AU76
American Mineralogist, 2010, 95, 724-735
9015900 CIFAl2 Ca H4 O10 Si2C m c m5.714; 8.592; 12.871
90; 90; 90
631.898Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa
Mineralogical Magazine, 2001, 65, 41-58
9015768 CIFCl2 Cu H6 N2C m c m7.688; 10.645; 5.736
90; 90; 90
469.427Bojar, H. P.; Walter, F.; Baumgartner, J.; Farber, G.
Ammineite, CuCl2(NH3)2, a new species containing an ammine complex: Mineral data and crystal structure Note: T = 100 K
The Canadian Mineralogist, 2010, 48, 1359-1371
9015755 CIFCa5 Cl O10.5 Si3C m c m3.7617; 16.9385; 17.3196
90; 90; 90
1103.56Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N.
Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
European Journal of Mineralogy, 2011, 23, 837-844
9015592 CIFAl0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44C m c m14.15; 10.395; 7.529
90; 90; 90
1107.44Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W.
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure
Mineralogical Magazine, 2012, 76, 75-90
9015585 CIFAl2 Ca0.979 H4 O10 Si2 Sr0.021C m c m5.8419; 8.794; 13.1393
90; 90; 90
675.014Liebscher, 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 #AU79
American Mineralogist, 2010, 95, 724-735
9015411 CIFAl2 Ca0.889 H4 O10 Si2 Sr0.111C m c m5.8439; 8.8112; 13.1618
90; 90; 90
677.724Liebscher, 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
9015269 CIFAl2 Ca0.807 H4 O10 Si2 Sr0.193C m c m5.8457; 8.8286; 13.1834
90; 90; 90
680.387Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62
American Mineralogist, 2010, 95, 724-735
9015255 CIFEu2 O7 Ta2C m c m3.9542; 27.142; 5.692
90; 90; 90
610.893Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.
Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
Zeitschrift fur Kristallographie, 1996, 211, 547-548
9014408 CIFAl2 Ca0.971 H4 O10 Si2 Sr0.029C m c m5.8417; 8.7904; 13.1345
90; 90; 90
674.468Liebscher, 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 #AU77
American Mineralogist, 2010, 95, 724-735
9014243 CIFFe4 O5C m c m2.87366; 9.694; 12.4116
90; 90; 90
345.753Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M.
In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures
American Mineralogist, 2012, 97, 1808-1811
9014235 CIFFe4 O5C m c m2.843; 9.7; 12.29
90; 90; 90
338.923Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y.
Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa
Proceedings of the National Academy of Sciences, 2011, 108, 17281-17284
9014088 CIFAl2 Ca H4 O10 Si2C m c m5.849; 8.79; 13.132
90; 90; 90
675.152Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa
Mineralogical Magazine, 2001, 65, 41-58
9013961 CIFCa Fe5 O7C m c m3.052; 10.041; 17.966
90; 90; 90
550.57Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013960 CIFCa Fe4 O6C m c m3.05; 9.986; 15.321
90; 90; 90
466.636Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013959 CIFCa Fe3 O5C m c m3.021; 10.009; 12.643
90; 90; 90
382.289Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Journal of Solid State Chemistry, 1980, 35, 112-119
9013499 CIFFe2 S3 TlC m c m9.083; 10.754; 5.412
90; 90; 90
528.636Balic-Zunic T; Karanovic, L.; Poleti, D.
Crystal structure of picotpaulite, TlFe2S3, from Allchar, FYR Macedonia
Acta Chimica Slovenica, 2008, 55, 801-809
9013456 CIFCs0.5 Fe2 K0.5 S3C m c m9.3268; 11.3693; 5.4592
90; 90; 90
578.889Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013455 CIFFe2 K0.5 Rb0.5 S3C m c m9.1554; 11.1612; 5.4382
90; 90; 90
555.704Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013454 CIFCs0.5 Fe2 Rb0.5 S3C m c m9.4144; 11.4632; 5.4691
90; 90; 90
590.221Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013453 CIFFe2 K S3C m c m9.0415; 11.0298; 5.41771
90; 90; 90
540.286Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013452 CIFFe2 Rb S3C m c m9.2202; 11.2429; 5.445
90; 90; 90
564.438Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013451 CIFFe2 Rb S3C m c m9.2202; 11.2429; 5.445
90; 90; 90
564.438Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9013450 CIFCs Fe2 S3C m c m9.5193; 11.5826; 5.482
90; 90; 90
604.436Mitchell, R. H.; Ross, K. C.; Potter, E. G.
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic
Journal of Solid State Chemistry, 2004, 177, 1867-1872
9012767 CIFBa Ca4 H24 O48.4 Si16C m c m14.081; 13.109; 23.56
90; 90; 90
4348.89Cannillo, E.; Rossi, G.; Ungaretti, L.
The crystal structure of macdonaldite Note: x(Si4) corrected
Atti della Accademia Nazionale dei Lincei, 1968, 45, 399-414
9012485 CIFGaC m c m2.9; 8.13; 3.17
90; 90; 90
74.739Curien, H.; Rimsky, A.; Defrain, A.
Structure atomique d'une phase cristalline du gallium, instable a la pression atmospherique Locality: synthetic Sample: at T = 256.85 K
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie, 1961, 84, 260-264
9012275 CIFAl H O2C m c m2.8668; 12.2189; 3.6922
90; 90; 90
129.335Bokhimi, X.; Sanchez-Valente J; Pedraza, F.
Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 15 days, T = 473 K
Journal of Solid State Chemistry, 2002, 166, 182-190
9012274 CIFAl H O2C m c m2.86676; 12.223; 3.6907
90; 90; 90
129.324Bokhimi, X.; Sanchez-Valente J; Pedraza, F.
Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 7 days, T = 473 K
Journal of Solid State Chemistry, 2002, 166, 182-190
9012273 CIFAl H O2C m c m2.8656; 12.226; 3.6886
90; 90; 90
129.229Bokhimi, X.; Sanchez-Valente J; Pedraza, F.
Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 3 days, T = 473 K
Journal of Solid State Chemistry, 2002, 166, 182-190
9012253 CIFAl H O2C m c m2.8678; 12.2188; 3.6941
90; 90; 90
129.445Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 240 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012252 CIFAl H O2C m c m2.8681; 12.2256; 3.6941
90; 90; 90
129.531Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 180 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012251 CIFAl H O2C m c m2.8695; 12.232; 3.6945
90; 90; 90
129.676Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 140 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012250 CIFAl H O2C m c m2.8686; 12.265; 3.715
90; 90; 90
130.706Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 100 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012249 CIFAl H O2C m c m2.8675; 12.274; 3.733
90; 90; 90
131.386Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 50 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012248 CIFAl H O2C m c m2.8796; 12.205; 3.761
90; 90; 90
132.182Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 30 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9012247 CIFAl H O2C m c m2.851; 12.12; 3.736
90; 90; 90
129.094Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F
Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 23 C
Journal of Solid State Chemistry, 2001, 159, 32-40
9011751 CIFBa0.14 O7 Si2 Sr0.86 VC m c m5.314; 14.691; 7.031
90; 90; 90
548.896Basso, R.; Lucchetti, G.; Palenzona, A.; Zefiro, L.
Haradaite from the Gambatesa mine, eastern Liguria, Italy
Neues Jahrbuch fur Mineralogie, Monatshefte, 1995, 1995, 281-288
9011681 CIFAg ClC m c m3.32; 9.835; 4.108
90; 90; 90
134.135Hull, S.; Keen, D. A.
Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 16.1 Gpa, Phase III
Physical Review B, 1999, 59, 750-761
9011680 CIFAg ClC m c m3.337; 9.907; 4.095
90; 90; 90
135.379Hull, S.; Keen, D. A.
Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 14.2 GPa, Phase III
Physical Review B, 1999, 59, 750-761
9011679 CIFAg ClC m c m3.369; 10.023; 4.053
90; 90; 90
136.86Hull, S.; Keen, D. A.
Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 12.7 GPa, Phase III
Physical Review B, 1999, 59, 750-761
9011678 CIFAg ClC m c m3.399; 10.124; 4.032
90; 90; 90
138.747Hull, S.; Keen, D. A.
Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 10.8 Gpa, Phase III
Physical Review B, 1999, 59, 750-761
9011536 CIFC2 Ba Ca2 F2 O6C m c m12.501; 5.846; 9.443
90; 90; 90
690.102Zubkova, N. V.; Pushcharovsky, D. Y.; Pekov, I. V.; Rabadanov, M. K.
The crystal structure of podlesnoite, BaCa2(CO3)2F2
Zeitschrift fur Kristallographie, 2007, 222, 474-476
9011322 CIFCl H6 Mg0.5 O2C m c m4.21616; 11.023; 7.2951
90; 90; 90
339.038Sugimoto, K.; Dinnebier, R. E.; Hanson, J. C.
Structures of three dehydration products of bischofite from in situ synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)
Acta Crystallographica, Section B, 2007, 63, 235-242
9011253 CIFC2 Br2 O TlC m c m10.31; 8.56; 15.55
90; 90; 90
1372.34Marsh, R. E.; Herbstein, F. H.
More space-group changes
Acta Crystallographica, Section B: Structural Science, 1988, 44, 77-88
9011120 CIFGaC m c m10.593; 13.523; 5.203
90; 90; 90
745.325Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A.
Structure cristalline de Ga-gamma Sample: at T = 220 K Note: structure known as gamma phase
Acta Crystallographica, Section B, 1972, 28, 1974-1975
9011076 CIFC14 N4 O2 PtC m c m18.722; 11.889; 6.688
90; 90; 90
1488.65Marsh, R. E.
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Acta Crystallographica, Section A, 1994, 50, 450-455
9010961 CIFCa O3 PtC m c m3.12607; 9.91983; 7.35059
90; 90; 90
227.942Ohgushi, K.; Matsushita, Y.; Miyajima, N.; Katsuya, Y.; Tanaka, M.; Izumi, F.; Gotou, H.; Ueda, Y.; Yagi, T.
CaPtO3 as a novel post-perovskite oxide
Physics and Chemistry of Minerals, 2008, 35, 189-195
9010840 CIFAl0.75 Ca1.65 Fe0.8 H3 Mg0.3 Mn1.05 O13 Si2.6 V0.35C m c m6.066; 8.908; 18.995
90; 90; 90
1026.41Basso, R.; Carbone, C.; Palenzona, A.
Cassagnaite, a new, V-bearing silicate mineral from the Cassagna mine, northern Apennines, Italy
European Journal of Mineralogy, 2008, 20, 95-100
9010839 CIFAl2 Ca H4 O10 Si2C m c m5.85; 8.79; 13.122
90; 90; 90
674.753Kolesov, B. A.; Lager, G. A.; Schultz, A. J.
Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and Raman spectroscopic investigation Sample: T = 295 K
European Journal of Mineralogy, 2008, 20, 63-72
9010481 CIFCa Ir O3C m c m3.1472; 9.8655; 7.3018
90; 90; 90
226.711Sugahara, M.; Yoshiasa, A.; Yoneda, A.; Hashimoto, T.; Sakai, S.; Okube, M.; Nakatsuka, A.; Ohtaka, O.
Single-crystal X-ray diffraction study of CaIrO3 Note: post-perovskite structure
American Mineralogist, 2008, 93, 1148-1152
9010465 CIFGe Mg O3C m c m2.6127; 8.4674; 6.4413
90; 90; 90
142.499Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B041, P = 78.2 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010464 CIFGe Mg O3C m c m2.6113; 8.4602; 6.4381
90; 90; 90
142.231Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B040, P = 79.2 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010463 CIFGe Mg O3C m c m2.6018; 8.4259; 6.4161
90; 90; 90
140.657Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B038, P = 85.0 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010462 CIFGe Mg O3C m c m2.5949; 8.4009; 6.4013
90; 90; 90
139.545Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B020, P = 89.5 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010461 CIFGe Mg O3C m c m2.5971; 8.4089; 6.4064
90; 90; 90
139.908Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B019, P = 87.8 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010460 CIFGe Mg O3C m c m2.5987; 8.4107; 6.4079
90; 90; 90
140.057Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B018, P = 93.6 GPa, T = 1420 K
American Mineralogist, 2008, 93, 965-976
9010459 CIFGe Mg O3C m c m2.6001; 8.4123; 6.4099
90; 90; 90
140.203Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: B017, P = 92.1 GPa, T = 1740 K
American Mineralogist, 2008, 93, 965-976
9010458 CIFGe Mg O3C m c m2.5811; 8.3628; 6.373
90; 90; 90
137.563Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A042, P = 100.2 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010457 CIFGe Mg O3C m c m2.5677; 8.3132; 6.3453
90; 90; 90
135.446Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A038, P = 109.3 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976
9010456 CIFGe Mg O3C m c m2.5718; 8.3274; 6.3536
90; 90; 90
136.071Kubo, A.; Kiefer, B.; Shim, S. H.; Shen, G.; Prakapenka, V. B.; Duffy, T. S.
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar Sample: A036, P = 105.4 GPa, T = 300 K
American Mineralogist, 2008, 93, 965-976

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