Crystallography Open Database

Result : There are 95 entries in the selection

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Searching journal of publication like 'Science'

COD ID: 1509879
CIF file Formula: - Ag4 I5 Rb -
Comments: Geller, S. Crystal Structure of the Solid Electrolyte, Rb Ag4 I5 Science 157 (1967) 310-312
Space group: P 41 3 2
Cell volume: 1420.04
Cell parameters: 11.24; 11.24; 11.24; 90; 90; 90;  

COD ID: 1510137
CIF file Formula: - Au F22 Sb4 Xe4 -
Comments: Seidel, S.; Seppelt, K. Xenon as complex ligand: The tetra xenono gold(II) cation in AuXe42+(Sb2F11-)2 Science 290 (2000) 117-118
Space group: P -1
Cell volume: 1243.39
Cell parameters: 7.9403; 9.1775; 17.391; 99.539; 92.64; 94.656;  

COD ID: 1510851
CIF file Formula: - B2 W -
Comments: Wavner, F.E.jr.; Woods, H.P.; Fox, B.G. Tungsten diboride: Preparation and structure Science 151 (1966) 75-75
Space group: P 6/m m m
Cell volume: 24.09
Cell parameters: 3.02; 3.02; 3.05; 90; 90; 120;  

COD ID: 1522694
CIF file Formula: - La -
Comments: Piermarini, G.J.; Weir, C.E. Allotropy of some rare-earth metals at high pressure Science 144 (1964) 69-71
Space group: F m -3 m
Cell volume: 138.188
Cell parameters: 5.17; 5.17; 5.17; 90; 90; 90;  

COD ID: 1523911
CIF file Formula: - Ga Sb -
Comments: Jamieson, J.C. Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminium Science 139 (1963) 845-847
Space group: I 41/a m d :1
Cell volume: 84.001
Cell parameters: 5.348; 5.348; 2.937; 90; 90; 90;  

COD ID: 1528389
CIF file Formula: - Ge -
Comments: Bundy, F.P.; Kasper, J.S. A new dense form of solid germanium Science 139 (1963) 340-341
Space group: P 43 21 2
Cell volume: 245.451
Cell parameters: 5.93; 5.93; 6.98; 90; 90; 90;  

COD ID: 1528745
CIF file Formula: - Cu3 Se2 -
Comments: Morimoto, N.; Koto, K. Crystal structure of umangite, Cu3 Se2 Science 153 (1966) 345-345
Space group: P -4 21 m
Cell volume: 175.597
Cell parameters: 6.406; 6.406; 4.279; 90; 90; 90;  

COD ID: 1528803
CIF file Formula: - Ge S2 -
Comments: Prewitt, C.T.; Young, H.S. Germanium and silicon disulfides: Structure and synthesis Science 149 (1965) 535-537
Space group: I -4 2 d
Cell volume: 274.568
Cell parameters: 5.48; 5.48; 9.143; 90; 90; 90;  

COD ID: 1528804
CIF file Formula: - S2 Si -
Comments: Prewitt, C.T.; Young, H.S. Germanium and silicon disulfides: Structure and synthesis Science 149 (1965) 535-537
Space group: I -4 2 d
Cell volume: 256.103
Cell parameters: 5.42; 5.42; 8.718; 90; 90; 90;  

COD ID: 1528933
CIF file Formula: - Mo Se2 -
Comments: Towle, L.C.; Oberbeck, V.; Stajdohar, R.E.; Brown, B.E. Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature Polymorph Science 154 (1966) 895-896
Space group: R 3 m :H
Cell volume: 182.001
Cell parameters: 3.292; 3.292; 19.392; 90; 90; 120;  

COD ID: 1531357
CIF file Formula: - Co H0.7 La O3 Sr -
Comments: Hayward, M.A.; Claridge, J.B.; Cussen, E.J.; Bieringer, M.; Rosseinsky, M.J.; Pratt, F.L.; Kiely, C.J.; Marshall, I.M.; Blundell, S.J. The hydride anion in an extended transition metal oxide array : La Sr Co O3 H0.7 Science 295 (2002) 1882-1884
Space group: I m m m
Cell volume: 181.541
Cell parameters: 3.87093; 3.60341; 13.01507; 90; 90; 90;  

COD ID: 1534362
CIF file Formula: - C O5 U -
Comments: Christ, C.L.; Clark, J.R.; Evans, H.T.jr. Crystal structure of rutherfordine, U O2 C O3 Science 121 (1955) 472-472
Space group: P m m n :2
Cell volume: 191.594
Cell parameters: 4.845; 9.205; 4.296; 90; 90; 90;  

COD ID: 1534581
CIF file Formula: - H45 K7 Na9 O91.5 P2 Pt W18 -
Comments: Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Rui Cao,; Piccoli, P.M.B.; Schultz, A.J.; Koetzle, F.; Hill, C.L.; Keiji Morokuma,; Musaev, D.G. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077
Space group: F d d d :2
Cell volume: 34857.8
Cell parameters: 28.596; 31.788; 38.347; 90; 90; 90;  

COD ID: 1534583
CIF file Formula: - H49.2 K7.6 Na1.4 O90.5 P2 Pd0.3 W18.7 -
Comments: Anderson, T.M.; Musaev, D.G.; Kirk, M.L.; Neiwert, W.A.; Schultz, A.J.; Piccoli, P.M.B.; Koetzle, F. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077
Space group: F d d d :2
Cell volume: 34741.4
Cell parameters: 28.637; 31.735; 38.228; 90; 90; 90;  

COD ID: 1534585
CIF file Formula: - H45 K7 Na9 O91.5 P2 Pt0.5 W18 -
Comments: Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Koetzle, F.; Piccoli, P.M.B.; Schultz, A.J.; Musaev, D.G. A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O) L2], L = [P W9 O34]9- Science 306 (2004) 2074-2077
Space group: F d d d :2
Cell volume: 34299
Cell parameters: 28.494; 31.687; 37.988; 90; 90; 90;  

COD ID: 1534836
CIF file Formula: - O Zn -
Comments: Bates, C.H.; White, W.B. New high-pressure polymorph of zinc oxide Science 137 (1962) 993-993
Space group: F m -3 m
Cell volume: 78.403
Cell parameters: 4.28; 4.28; 4.28; 90; 90; 90;  

COD ID: 1535012
CIF file Formula: - C70 -
Comments: Soldatov, A.V.; Dzyabchenko, A.; Roth, G.; Haluska, M.; Johnels, D.; Lebedkin, S.; Meingast, C.; Sundqvist, B.; Kuzmany, H. Topochemical polymerization of C70 controlled by monomer crystal packing Science 293 (2001) 680-683
Space group: C c m m
Cell volume: 3098.29
Cell parameters: 17.303; 9.99; 17.924; 90; 90; 90;  

COD ID: 1537384
CIF file Formula: - H16 Na4 O14 Xe -
Comments: Hamilton, W.C.; Ibers, J.A.; MacKenzie, D.R. Geometry of the Perxenate Ion Science 141 (1963) 532-534
Space group: P b c n
Cell volume: 1291.26
Cell parameters: 11.87; 10.47; 10.39; 90; 90; 90;  

COD ID: 1537452
CIF file Formula: - F4 Xe -
Comments: Ibers, J.A.; Hamilton, W.C. Xenon Tetrafluoride: Crystal Structure Science 139 (1963) 106-107
Space group: P 1 21/n 1
Cell volume: 168.05
Cell parameters: 5.03; 5.9; 5.75; 90; 100; 90;  

COD ID: 1538318
CIF file Formula: - Al7 H Mg3 O22 Si4 -
Comments: Moore, P.B.; Bennett, J.M. Kornerupine: Its Crystal Structure Science 159 (1968) 524-526
Space group: C m c m
Cell volume: 1492.8
Cell parameters: 16.1; 13.767; 6.735; 90; 90; 90;  

COD ID: 1538565
CIF file Formula: - In P -
Comments: Jamieson, J.C. Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminum Science 139 (1963) 845-847
Space group: F m -3 m
Cell volume: 186.169
Cell parameters: 5.71; 5.71; 5.71; 90; 90; 90;  

COD ID: 1538566
CIF file Formula: - In Sb -
Comments: Jamieson, J.C. Crystal structures at high pressures of metallic modifications of compounds of indium, gallium, and aluminium Science 139 (1963) 845-847
Space group: I 41/a m d :1
Cell volume: 91.055
Cell parameters: 5.537; 5.537; 2.97; 90; 90; 90;  

COD ID: 1538749
CIF file Formula: - Hg Te -
Comments: Mariano, A.N.; Warekois, E.P. High pressure phases of some compounds of groups II-VI Science 142 (1963) 672-673
Space group: F -4 3 m
Cell volume: 267.09
Cell parameters: 6.44; 6.44; 6.44; 90; 90; 90;  

COD ID: 1539014
CIF file Formula: - Pr -
Comments: Piermarini, G.J.; Weir, C.E. Allotropy in some rare-earth metals at high pressures Science 144 (1964) 69-71
Space group: F m -3 m
Cell volume: 116.214
Cell parameters: 4.88; 4.88; 4.88; 90; 90; 90;  

COD ID: 1539306
CIF file Formula: - In Te -
Comments: Sclar, C.B.; Schwartz, C.M.; Carrison, L.C. Indium telluride (II'): Transitory intermediate phase in the transformation InTe(II) to InTe(I) Science 147 (1965) 1569-1571
Space group: F m -3 m
Cell volume: 233.745
Cell parameters: 6.16; 6.16; 6.16; 90; 90; 90;  

COD ID: 1539913
CIF file Formula: - Cu2 S -
Comments: Buerger, M.J.; Wuensch, B.J. Distribution of atoms in high chalcocite, Cu2 S Science 141 (1963) 276-277
Space group: P 63/m m c
Cell volume: 90.161
Cell parameters: 3.89; 3.89; 6.88; 90; 90; 120;  

COD ID: 1541674
CIF file Formula: - Ga3.332 Ge0.668 N0.251 O0.25 S8 -
Comments: Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I 41/a c d :2
Cell volume: 20284.3
Cell parameters: 22.532; 22.532; 39.954; 90; 90; 90;  

COD ID: 1541761
CIF file Formula: - In2 S8 Sn2 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: P c a 21
Cell volume: 5887.57
Cell parameters: 13.379; 16.943; 25.973; 90; 90; 90;  

COD ID: 1541762
CIF file Formula: - Ga2.079 O0.25 S8 Sn1.921 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I 41/a c d :2
Cell volume: 21558.7
Cell parameters: 22.935; 22.935; 40.985; 90; 90; 90;  

COD ID: 1541764
CIF file Formula: - Ge1.317 In2.683 O0.25 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I 41/a c d :2
Cell volume: 21772.6
Cell parameters: 22.9078; 22.9078; 41.49; 90; 90; 90;  

COD ID: 1541765
CIF file Formula: - Ge1.417 In2.583 O0.25 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I 41/a c d :2
Cell volume: 21510
Cell parameters: 22.813; 22.813; 41.331; 90; 90; 90;  

COD ID: 1541766
CIF file Formula: - Ga2 Ge2 N0.666667 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 9245.66
Cell parameters: 20.9884; 20.9884; 20.9884; 90; 90; 90;  

COD ID: 1541768
CIF file Formula: - Ga2.668 Ge1.332 N1.71333 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 9175.53
Cell parameters: 20.9352; 20.9352; 20.9352; 90; 90; 90;  

COD ID: 1541770
CIF file Formula: - Ga1.72 O0.25 Se8 Sn2.28 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I 41/a c d :2
Cell volume: 24188
Cell parameters: 23.841; 23.841; 42.555; 90; 90; 90;  

COD ID: 1541829
CIF file Formula: - Ga2 Ge2 N4 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 9446.12
Cell parameters: 21.139; 21.139; 21.139; 90; 90; 90;  

COD ID: 1541830
CIF file Formula: - Ga1.812 S8 Sn2.188 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 9994.5
Cell parameters: 21.5404; 21.5404; 21.5404; 90; 90; 90;  

COD ID: 1541831
CIF file Formula: - Ge In3 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 10266.4
Cell parameters: 21.734; 21.734; 21.734; 90; 90; 90;  

COD ID: 1541832
CIF file Formula: - Ge1.5 In2.5 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 10927.2
Cell parameters: 22.1906; 22.1906; 22.1906; 90; 90; 90;  

COD ID: 1541833
CIF file Formula: - Ga4 Se8 -
Comments: Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 10493.4
Cell parameters: 21.893; 21.893; 21.893; 90; 90; 90;  

COD ID: 1541835
CIF file Formula: - Ga2.32 Se8 Sn1.68 -
Comments: Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 3 m
Cell volume: 10877.6
Cell parameters: 22.157; 22.157; 22.157; 90; 90; 90;  

COD ID: 1541879
CIF file Formula: - Ge2.052 In1.948 S8 -
Comments: Zheng Nanfeng; Feng Pingyun; Bu Xianhui; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: C 1 c 1
Cell volume: 2595.23
Cell parameters: 16.354; 16.035; 12.835; 90; 129.551; 90;  

COD ID: 1541880
CIF file Formula: - Ga2.668 Ge1.332 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 m 2
Cell volume: 5248.09
Cell parameters: 21.638; 21.638; 11.209; 90; 90; 90;  

COD ID: 1541881
CIF file Formula: - Ge2.12 In1.88 S8 -
Comments: Zheng Nanfeng; Feng Pingyun; Bu Xianhui; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 m 2
Cell volume: 5566.88
Cell parameters: 22.153; 22.153; 11.3435; 90; 90; 90;  

COD ID: 1541882
CIF file Formula: - Ga2.402 S8 Sn1.598 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 m 2
Cell volume: 5561.81
Cell parameters: 22.169; 22.169; 11.3168; 90; 90; 90;  

COD ID: 1542070
CIF file Formula: - Ga3.3 Ge0.7 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2408.76
Cell parameters: 11.1414; 11.1414; 19.405; 90; 90; 90;  

COD ID: 1542072
CIF file Formula: - Ga2 Ge2 N2.88 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2506.68
Cell parameters: 11.5128; 11.5128; 18.912; 90; 90; 90;  

COD ID: 1542073
CIF file Formula: - Ga2.316 S8 Sn1.684 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2719.88
Cell parameters: 11.6915; 11.6915; 19.898; 90; 90; 90;  

COD ID: 1542075
CIF file Formula: - Ga2.46 Se8 Sn1.54 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 3232.33
Cell parameters: 12.5373; 12.5373; 20.564; 90; 90; 90;  

COD ID: 1542077
CIF file Formula: - Ge2.164 In1.836 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2650.91
Cell parameters: 11.5313; 11.5313; 19.936; 90; 90; 90;  

COD ID: 1542079
CIF file Formula: - Ge2.28 In1.72 S8 -
Comments: Zheng Nanfeng; Feng Pingyun; Wang Bing; Bu Xianhui Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2645.7
Cell parameters: 11.4416; 11.4416; 20.21; 90; 90; 90;  

COD ID: 1542190
CIF file Formula: - Ga2 Ge2 S8 -
Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2447.53
Cell parameters: 11.2864; 11.2864; 19.214; 90; 90; 90;  

COD ID: 1542192
CIF file Formula: - Ga2 Ge2 S8 -
Comments: Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369
Space group: I -4 2 d
Cell volume: 2666.12
Cell parameters: 11.599; 11.599; 19.817; 90; 90; 90;  

COD ID: 1546360
CIF file Formula: - Al0.005 B0.071 H0.033 Na0.043 O2 Si0.924 -
Comments: Leonowicz, Michael E.; Lawton, Jeffrey A.; Lawton, Stephen L.; Rubin, Mae K. MCM-22: a molecular sieve with two independent multidimensional channel systems Science 264 (1994) 1910-1913
Space group: P 6/m m m
Cell volume: 4292.9
Cell parameters: 14.1145; 14.1145; 24.8822; 90; 90; 120;  

COD ID: 1547472
CIF file Formula: - Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -
Comments: Oliver Tschauner; Chi Ma; John R. Beckett; Clemens Prescher; Vitali B. Prakapenka; George R. Rossman Bridgmanite - the most abundant mineral in Earth discovered in the Tenham L6 Chondrite Science 346 (2014) 1100-1102
Space group: P n m a
Cell volume: 168.44
Cell parameters: 5.05; 6.92; 4.82; 90; 90; 90;  

COD ID: 1548348
CIF file Formula: - C8 H9 N O2 -
Comments: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science 355(6321) (2017) 166-169
Space group: P c a b
Cell volume: 1459.43
Cell parameters: 7.232; 11.76; 17.16; 90; 90; 90;  

COD ID: 1548349
CIF file Formula: - Al2 Co1.13 H11.223 O20 P4 -
Comments: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science 355(6321) (2017) 166-169
Space group: P 1 21/n 1
Cell volume: 708.29
Cell parameters: 8.4589; 16.5069; 5.0726; 90; 90.086; 90;  

COD ID: 1548350
CIF file Formula: - Al2 Co1.224 H10.954 O20 P4 -
Comments: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science 355(6321) (2017) 166-169
Space group: P 1 21/n 1
Cell volume: 688.7
Cell parameters: 8.395; 16.3; 5.033; 90; 90.44; 90;  

COD ID: 1566647
CIF file Formula: - D2 O -
Comments: Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L. The preparation and structures of hydrogen ordered phases of ice Science 311 (2006) 1758
Space group: P 1 21/a 1
Cell volume: 669.521
Cell parameters: 9.2417; 7.4724; 10.297; 90; 109.687; 90;  

COD ID: 1566648
CIF file Formula: - D2 O -
Comments: Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L. The preparation and structures of hydrogen ordered phases of ice Science 311 (2006) 1758
Space group: P 21 21 21
Cell volume: 277.449
Cell parameters: 8.3499; 8.1391; 4.0825; 90; 90; 90;  

COD ID: 3000217
CIF file Formula: - C27 H38 F N4 O11 P -
Comments: Brázda, Petr; Palatinus, Lukáš; Babor, Martin Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal Science 364(6441) (2019) 667-669
Space group: P 21 21 21
Cell volume: 3126.62
Cell parameters: 5.34; 19.53; 29.98; 90; 90; 90;  

COD ID: 5000067
CIF file Formula: - C6 H12 O6 -
Comments: Brown, G. M.; Levy, H. A. α-D-Glucose: Precise Determination of Crystal and Molecular Structure by Neutron-Diffraction Analysis Science 147(3661) (1965) 1038-1039
Space group: P 21 21 21
Cell volume: 764.1
Cell parameters: 10.36; 14.84; 4.97; 90; 90; 90;  

COD ID: 5000129
CIF file Formula: - C27 H32 I N3 O4 -
Comments: Baker, R. W.; Chothia, C.; Pauling, P.; Weber, H. P. Molecular Structure of LSD Science 178(4061) (1972) 614-615
Space group: P 1 21 1
Cell volume: 1298.74
Cell parameters: 14.21; 7.65; 13.24; 90; 115.53; 90;  

COD ID: 9009215
CIF file Formula: - H2 O -
Comments: Kamb, B. Structure of ice VI Science 150 (1965) 205-209
Space group: P 42/n m c :1
Cell volume: 227.622
Cell parameters: 6.27; 6.27; 5.79; 90; 90; 90;  

COD ID: 9009216
CIF file Formula: - B15 H20 N3 O32 -
Comments: Merlino S; Sartori F Ammonioborite: New borate polyion and its structure Science 171 (1971) 377-379
Space group: C 1 2/c 1
Cell volume: 2811.11
Cell parameters: 25.27; 9.65; 11.56; 90; 94.28; 90;  

COD ID: 9009217
CIF file Formula: - Mg O3 Si -
Comments: Murakami, M.; Hirose, K.; Kawamura, K.; Sata, N.; Ohishi, Y. Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters Science 304 (2004) 855-858
Space group: C m c m
Cell volume: 120.344
Cell parameters: 2.456; 8.042; 6.093; 90; 90; 90;  

COD ID: 9009218
CIF file Formula: - O2 Si -
Comments: Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y. The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K Science 309 (2005) 923-925
Space group: P a -3
Cell volume: 60.694
Cell parameters: 3.9299; 3.9299; 3.9299; 90; 90; 90;  

COD ID: 9011550
CIF file Formula: - Cs -
Comments: Hall, H. T.; Merrill, L.; Barnett, J. D. High-pressure polymorphism in cesium Sample: at P = 4.1 GPa & T = 27 C Note: known as Cesium-II Note: stable between 2.37 GPa & 4.22 GPa Science 146 (1964) 1297-1299
Space group: F m -3 m
Cell volume: 214.277
Cell parameters: 5.984; 5.984; 5.984; 90; 90; 90;  

COD ID: 9011551
CIF file Formula: - Cs -
Comments: Hall, H. T.; Merrill, L.; Barnett, J. D. High-pressure polymorphism in cesium Sample: at P = 4.25 GPa & T = 27 C Note: known as Cesium-III Note: stable between 4.22 GPa & 4.27 GPa Science 146 (1964) 1297-1299
Space group: F m -3 m
Cell volume: 195.112
Cell parameters: 5.8; 5.8; 5.8; 90; 90; 90;  

COD ID: 9011552
CIF file Formula: - Al4 B12 Be4 Cs O28 -
Comments: Buerger, M. J.; Taxer, K. Rhodizite. Structure and composition Science 152 (1966) 500-502
Space group: P -4 3 m
Cell volume: 392.062
Cell parameters: 7.319; 7.319; 7.319; 90; 90; 90;  

COD ID: 9011553
CIF file Formula: - Cd Ge O3 -
Comments: Prewitt, C. T.; Sleight, A. W. Garnet-like structures of high-pressure cadmium germanate and calcium germanate Note: changed O2(y) to -.0500 to match reported bond distances Science 163 (1969) 386-387
Space group: I 41/a
Cell volume: 1886.31
Cell parameters: 12.406; 12.406; 12.256; 90; 90; 90;  

COD ID: 9011554
CIF file Formula: - Fe2 Na O15 Si6 -
Comments: Merlino, S. Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper Science 166 (1969) 1399-1401
Space group: C m c e
Cell volume: 2499.97
Cell parameters: 14.31; 17.28; 10.11; 90; 90; 90;  

COD ID: 9011555
CIF file Formula: - B15 H1.6 N3 O32 -
Comments: Merlino, S.; Sartori, F. Ammonioborite: New borate polyion and its structure Science 171 (1971) 377-379
Space group: C 1 2/c 1
Cell volume: 2811.11
Cell parameters: 25.27; 9.65; 11.56; 90; 94.28; 90;  

COD ID: 9011556
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 3.3 GPa, T = 296 K Note: film # 2-3 Science 219 (1983) 1071-1072
Space group: I m -3 m
Cell volume: 35.449
Cell parameters: 3.285; 3.285; 3.285; 90; 90; 90;  

COD ID: 9011557
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 3.5 GPa, T = 296 K Note: film # 4-4 Science 219 (1983) 1071-1072
Space group: I m -3 m
Cell volume: 35.03
Cell parameters: 3.272; 3.272; 3.272; 90; 90; 90;  

COD ID: 9011558
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 4-5 Science 219 (1983) 1071-1072
Space group: I m -3 m
Cell volume: 33.262
Cell parameters: 3.216; 3.216; 3.216; 90; 90; 90;  

COD ID: 9011559
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 2-4 Science 219 (1983) 1071-1072
Space group: I m -3 m
Cell volume: 33.293
Cell parameters: 3.217; 3.217; 3.217; 90; 90; 90;  

COD ID: 9011560
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 6.6 GPa, T = 296 K Note: film # 2-5 Science 219 (1983) 1071-1072
Space group: I m -3 m
Cell volume: 31.584
Cell parameters: 3.161; 3.161; 3.161; 90; 90; 90;  

COD ID: 9011561
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 8.0 GPa, T = 296 K Note: film # 4-7 Science 219 (1983) 1071-1072
Space group: F m -3 m
Cell volume: 59.319
Cell parameters: 3.9; 3.9; 3.9; 90; 90; 90;  

COD ID: 9011562
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.6 GPa, T = 296 K Note: film # 2-8 Science 219 (1983) 1071-1072
Space group: F m -3 m
Cell volume: 57.289
Cell parameters: 3.855; 3.855; 3.855; 90; 90; 90;  

COD ID: 9011563
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.8 GPa, T = 296 K Note: film # 4-9 Science 219 (1983) 1071-1072
Space group: F m -3 m
Cell volume: 56.756
Cell parameters: 3.843; 3.843; 3.843; 90; 90; 90;  

COD ID: 9011564
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 9.9 GPa, T = 296 K Note: film # 4-10 Science 219 (1983) 1071-1072
Space group: F m -3 m
Cell volume: 56.27
Cell parameters: 3.832; 3.832; 3.832; 90; 90; 90;  

COD ID: 9011565
CIF file Formula: - Li -
Comments: Olinger, B.; Shaner, J. W. Lithium, compression and high-pressure structure Sample: at P = 10.1 GPa, T = 296 K Note: film # 4-11 Science 219 (1983) 1071-1072
Space group: F m -3 m
Cell volume: 56.094
Cell parameters: 3.828; 3.828; 3.828; 90; 90; 90;  

COD ID: 9011566
CIF file Formula: - H -
Comments: Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 5.40 GPa, T = 300 K Science 239 (1988) 1131-1133
Space group: P 63/m m c
Cell volume: 26.537
Cell parameters: 2.659; 2.659; 4.334; 90; 90; 120;  

COD ID: 9011567
CIF file Formula: - H -
Comments: Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 10.1 GPa, T = 300 K Science 239 (1988) 1131-1133
Space group: P 63/m m c
Cell volume: 22.154
Cell parameters: 2.5058; 2.5058; 4.074; 90; 90; 120;  

COD ID: 9011568
CIF file Formula: - H -
Comments: Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 15.0 GPa, T = 300 K Science 239 (1988) 1131-1133
Space group: P 63/m m c
Cell volume: 19.267
Cell parameters: 2.393; 2.393; 3.885; 90; 90; 120;  

COD ID: 9011569
CIF file Formula: - H -
Comments: Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 21.4 GPa, T = 300 K Science 239 (1988) 1131-1133
Space group: P 63/m m c
Cell volume: 17.083
Cell parameters: 2.308; 2.308; 3.703; 90; 90; 120;  

COD ID: 9011570
CIF file Formula: - H -
Comments: Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 26.5 GPa, T = 300 K Science 239 (1988) 1131-1133
Space group: P 63/m m c
Cell volume: 15.95
Cell parameters: 2.259; 2.259; 3.609; 90; 90; 120;  

COD ID: 9011571
CIF file Formula: - Fe4.93 H O8 -
Comments: Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd6 Science 316 (2007) 1726-1729
Space group: P 63 m c
Cell volume: 277.733
Cell parameters: 5.928; 5.928; 9.126; 90; 90; 120;  

COD ID: 9011572
CIF file Formula: - Fe4.87 H O8 -
Comments: Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd3 Science 316 (2007) 1726-1729
Space group: P 63 m c
Cell volume: 279.16
Cell parameters: 5.953; 5.953; 9.096; 90; 90; 120;  

COD ID: 9011573
CIF file Formula: - Fe4.75 H O8 -
Comments: Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B. The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd2 Science 316 (2007) 1726-1729
Space group: P 63 m c
Cell volume: 275.602
Cell parameters: 5.958; 5.958; 8.965; 90; 90; 120;  

COD ID: 9013409
CIF file Formula: - S Zn -
Comments: Frondel, C.; Palache, C. Three new polymorphs of zinc sulfide Science 107 (1948) 602-602
Space group: P 63 m c
Cell volume: 156.968
Cell parameters: 3.814; 3.814; 12.46; 90; 90; 120;  

COD ID: 9013410
CIF file Formula: - S5 Zn5 -
Comments: Frondel, C.; Palache, C. Three new polymorphs of zinc sulfide Science 107 (1948) 602-602
Space group: R 3 m :H
Cell volume: 595.547
Cell parameters: 3.83; 3.83; 46.87999; 90; 90; 120;  

COD ID: 9015907
CIF file Formula: - Ba10 Ca2 Cl8 H12 Mn O32 Si8 Ti -
Comments: Khan, A. A.; Baur, W. H. Eight-membered cyclosilicate rings in muirite Science 173 (1971) 916-918
Space group: P 4/m m m
Cell volume: 1109.2
Cell parameters: 14.03; 14.03; 5.635; 90; 90; 90;  

COD ID: 9015957
CIF file Formula: - B6 H8 O14 Sr -
Comments: Clark, J. R. Boron-oxygen polyanion in the crystal structure of tunellite Science 141 (1963) 1178-1179
Space group: P 1 21/a 1
Cell volume: 1068.59
Cell parameters: 14.36; 8.198; 9.93; 90; 113.92; 90;  

COD ID: 9016503
CIF file Formula: - Cu62 S31 -
Comments: Evans, H. T. Djurleite (Cu1.94S) and low chalcocite (Cu2S): New crystal structure studies Science 203 (1979) 356-358
Space group: P 1 21/n 1
Cell volume: 5744.67
Cell parameters: 26.897; 15.745; 13.565; 90; 90.13; 90;  


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