Crystallography Open Database

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Searching journal of publication like 'Journal of Chemical Physics'

COD ID: 1000045
CIF file Formula: - Ca H2 O2 -
Comments: Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics 26 (1957) 563-568
Space group: P -3 m 1
Cell volume: 54.4
Cell parameters: 3.5862; 3.5862; 4.8801; 90; 90; 120;  

COD ID: 1001462
CIF file Formula: - Al11 Gd0.46 La0.43 Mg0.635 O18.46 -
Comments: Salem, Y; Linares, C; Jacquier, B; Saine, M C; Gasperin, M; Lejus, A M; Vivien, D The sites of Gd^3+^ in the luminescent matrix La~1- x~Gd~x~MgAl~11~O~19~: single crystal structure determination and site- selective excitation of Gd^3+^ Journal of Chemical Physics 93(10) (1990) 7076-7084
Space group: P 63/m m c
Cell volume: 587.1
Cell parameters: 5.565; 5.565; 21.89; 90; 90; 120;  

COD ID: 1008189
CIF file Formula: - H2 O2 -
Comments: Busing, William R.; Levy, Henri A. Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study Journal of Chemical Physics 42(9) (1965) 3054-3059
Space group: P 41 21 2
Cell volume: 131.9
Cell parameters: 4.06; 4.06; 8; 90; 90; 90;  

COD ID: 1008190
CIF file Formula: - H2 Li2 O5 S -
Comments: Smith, H G; Peterson, S W; Levy, H A Neutron-diffraction study of lithium sulfate monohydrate Journal of Chemical Physics 48 (1968) 5561-5565
Space group: P 1 21 1
Cell volume: 206.6
Cell parameters: 5.4537; 4.857; 8.1734; 90; 107.367; 90;  

COD ID: 1008760
CIF file Formula: - Cl2 Cu H4 O2 -
Comments: Peterson, S W; Levy, H A Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction Journal of Chemical Physics 26 (1957) 220-221
Space group: P b m n
Cell volume: 222.1
Cell parameters: 7.395; 8.056; 3.728; 90; 90; 90;  

COD ID: 1008781
CIF file Formula: - Ca H2 O2 -
Comments: Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics 26 (1957) 563-568
Space group: P -3 m 1
Cell volume: 54.8
Cell parameters: 3.5918; 3.5918; 4.9063; 90; 90; 120;  

COD ID: 1009029
CIF file Formula: - F2 H K -
Comments: Peterson, S W; Levy, H A A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride Journal of Chemical Physics 20 (1952) 704-707
Space group: I 4/m c m
Cell volume: 218.9
Cell parameters: 5.67; 5.67; 6.81; 90; 90; 90;  

COD ID: 1010304
CIF file Formula: - H6 N O2 P -
Comments: Zachariasen, W H; Mooney, R C L The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite Journal of Chemical Physics 2 (1934) 34-37
Space group: A b m m
Cell volume: 345.6
Cell parameters: 3.98; 7.57; 11.47; 90; 90; 90;  

COD ID: 1010322
CIF file Formula: - Ag0.5 Au0.5 Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1010323
CIF file Formula: - Au Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1010324
CIF file Formula: - Ag3 O4 P -
Comments: Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics 4 (1936) 316-322
Space group: P -4 3 n
Cell volume: 215.5
Cell parameters: 5.995; 5.995; 5.995; 90; 90; 90;  

COD ID: 1010325
CIF file Formula: - P -
Comments: Hultgren, R; Gingrich, N S; Warren, B E The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus Journal of Chemical Physics 3 (1935) 351-355
Space group: B m a b
Cell volume: 152.2
Cell parameters: 3.31; 4.38; 10.5; 90; 90; 90;  

COD ID: 1010517
CIF file Formula: - Cl6 H4 K3 O2 Tl -
Comments: Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics 3 (1935) 645-649
Space group: I 4/m m m
Cell volume: 4518.1
Cell parameters: 15.841; 15.841; 18.005; 90; 90; 90;  

COD ID: 1010518
CIF file Formula: - Br6 H2.286 O1.143 Rb3 Tl -
Comments: Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics 3 (1935) 645-649
Space group: I 4/m m m
Cell volume: 5588
Cell parameters: 16.95; 16.95; 19.45; 90; 90; 90;  

COD ID: 1010519
CIF file Formula: - Po -
Comments: Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics 4 (1936) 648-652
Space group: C 1 2 1
Cell volume: 448.6
Cell parameters: 7.42; 4.29; 14.1; 90; 92; 90;  

COD ID: 1010520
CIF file Formula: - Ge S2 -
Comments: Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics 4 (1936) 618-619
Space group: F d d 2
Cell volume: 1786.9
Cell parameters: 11.66; 22.34; 6.86; 90; 90; 90;  

COD ID: 1010521
CIF file Formula: - B3 K3 O6 -
Comments: Zachariasen, W H The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~) Journal of Chemical Physics 5 (1937) 919-922
Space group: R -3 c :R
Cell volume: 343.9
Cell parameters: 7.76; 7.76; 7.76; 110.6; 110.6; 110.6;  

COD ID: 1010522
CIF file Formula: - Na2 O4 S -
Comments: Frevel, L K The Crystal Structure of Sodium Sulfate III Journal of Chemical Physics 8 (1940) 290-290
Space group: P b n n
Cell volume: 348.4
Cell parameters: 5.59; 8.93; 6.98; 90; 90; 90;  

COD ID: 1010844
CIF file Formula: - As2 Cl9 Cs3 -
Comments: Hoard, J L; Goldstein, L The structure of Caesium Enneachlordiarsenite Journal of Chemical Physics 3 (1935) 117-122
Space group:
Cell volume: 419.1
Cell parameters: 7.37; 7.37; 8.91; 90; 90; 120;  

COD ID: 1010845
CIF file Formula: - K2 O4 -
Comments: Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics 4 (1936) 458-458
Space group: I 4/m m m
Cell volume: 218.3
Cell parameters: 5.7; 5.7; 6.72; 90; 90; 90;  

COD ID: 1010847
CIF file Formula: - H16 O12 S Sm -
Comments: Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics 3 (1935) 197-198
Space group: C 1 2/c 1
Cell volume: 1634.8
Cell parameters: 20.3; 6.76; 13.53; 90; 118.3; 90;  

COD ID: 1010848
CIF file Formula: - O6 S3 Tl2 -
Comments: Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics 4 (1936) 621-621
Space group: C 1 2/c 1
Cell volume: 745.3
Cell parameters: 13.2; 7.45; 7.58; 90; 91; 90;  

COD ID: 1010869
CIF file Formula: - Cl9 Cs3 Tl2 -
Comments: Hoard, J L; Goldstein, L The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~ Journal of Chemical Physics 3 (1935) 199-202
Space group: R -3 c RS
Cell volume: 864.8
Cell parameters: 9.58; 9.58; 9.58; 83.8; 83.8; 83.8;  

COD ID: 1011016
CIF file Formula: - C H Na O3 -
Comments: Zachariasen, W. H. The Crystal Lattice of Sodium Bicarbonate, Na H C O3 Journal of Chemical Physics 1 (1933) 634-639
Space group: P 1 21/n 1
Cell volume: 256.7
Cell parameters: 7.51; 9.7; 3.53; 90; 93.32; 90;  

COD ID: 1011023
CIF file Formula: - H2 O -
Comments: Bernal, J D; Fowler, R H A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions Journal of Chemical Physics 1 (1933) 515-548
Space group: P 63 c m
Cell volume: 389.8
Cell parameters: 7.82; 7.82; 7.36; 90; 90; 120;  

COD ID: 1011024
CIF file Formula: - H2 O -
Comments: McFarlan, R L The Structure of Ice III Journal of Chemical Physics 4 (1936) 253-259
Space group: I b a m (a,b,c+1/4)
Cell volume: 429.3
Cell parameters: 10.2; 5.87; 7.17; 90; 90; 90;  

COD ID: 1011025
CIF file Formula: - Ag I -
Comments: Helmholz, L The Crystal Structure of Hexagonal Silver Iodide Journal of Chemical Physics 3 (1935) 740-747
Space group: P 63 m c S
Cell volume: 137.2
Cell parameters: 4.59; 4.59; 7.52; 90; 90; 120;  

COD ID: 1011026
CIF file Formula: - Fe H O2 -
Comments: Ewing, F J The Crystal Structure of Lepidocrocite Journal of Chemical Physics 3 (1935) 420-424
Space group: A m a m
Cell volume: 148.1
Cell parameters: 3.87; 12.51; 3.06; 90; 90; 90;  

COD ID: 1011027
CIF file Formula: - Al H O2 -
Comments: Ewing, F J The Crystal Structure of Diaspore Journal of Chemical Physics 3 (1935) 203-207
Space group: P b n m
Cell volume: 117.3
Cell parameters: 4.4; 9.39; 2.84; 90; 90; 90;  

COD ID: 1011115
CIF file Formula: - C2 H10 N2 O5 -
Comments: Hendriks, S B; Jefferson, M E Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group Journal of Chemical Physics 4 (1936) 102-107
Space group: P 21 21 2
Cell volume: 315.4
Cell parameters: 8.04; 10.27; 3.82; 90; 90; 90;  

COD ID: 1011160
CIF file Formula: - S8 -
Comments: Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics 3 (1935) 6-8
Space group: F d d d :1
Cell volume: 3324.1
Cell parameters: 10.48; 12.92; 24.54999; 90; 90; 90;  

COD ID: 1011161
CIF file Formula: - Ag3 As S3 -
Comments: Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
Space group: R 3 c :H
Cell volume: 863.1
Cell parameters: 10.74; 10.74; 8.64; 90; 90; 120;  

COD ID: 1011162
CIF file Formula: - Ag3 S3 Sb -
Comments: Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
Space group: R 3 c :H
Cell volume: 919.4
Cell parameters: 11.04; 11.04; 8.71; 90; 90; 120;  

COD ID: 1011163
CIF file Formula: - Fe0.911 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 78.5
Cell parameters: 4.2816; 4.2816; 4.2816; 90; 90; 90;  

COD ID: 1011164
CIF file Formula: - Fe0.918 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 78.7
Cell parameters: 4.2847; 4.2847; 4.2847; 90; 90; 90;  

COD ID: 1011165
CIF file Formula: - Fe0.929 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79
Cell parameters: 4.2909; 4.2909; 4.2909; 90; 90; 90;  

COD ID: 1011166
CIF file Formula: - Fe0.932 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79
Cell parameters: 4.2909; 4.2909; 4.2909; 90; 90; 90;  

COD ID: 1011167
CIF file Formula: - Fe0.944 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79.5
Cell parameters: 4.2997; 4.2997; 4.2997; 90; 90; 90;  

COD ID: 1011168
CIF file Formula: - Fe0.944 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79.6
Cell parameters: 4.301; 4.301; 4.301; 90; 90; 90;  

COD ID: 1011169
CIF file Formula: - Fe O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 81.3
Cell parameters: 4.332; 4.332; 4.332; 90; 90; 90;  

COD ID: 1509138
CIF file Formula: - Po -
Comments: William H. Beamer; Charles R. Maxwell Physical Properties of Polonium. II. X-Ray Studies and Crystal Structure Journal of Chemical Physics 17 (1949) 1293-1298
Space group: P m -3 m
Cell volume: 37.427
Cell parameters: 3.345; 3.345; 3.345; 90; 90; 90;  

COD ID: 1509296
CIF file Formula: - Ag Dy -
Comments: Arnold, G.; Olsen, C.; Nereson, N. Magnetic structure of DyAg Journal of Chemical Physics 46 (1967) 4041-4043
Space group: P m -3 m
Cell volume: 46.929
Cell parameters: 3.607; 3.607; 3.607; 90; 90; 90;  

COD ID: 1509387
CIF file Formula: - Ag I -
Comments: Kasper, J.S.; Moore, M.J. Crystal Structure of Ag I at 3 kbar Journal of Chemical Physics 48 (1968) 2446-2450
Space group: P 4/n :1
Cell volume: 125.858
Cell parameters: 4.58; 4.58; 6; 90; 90; 90;  

COD ID: 1509725
CIF file Formula: - Ag2 Tm -
Comments: Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics 52 (1970) 6433-6434
Space group: I 4/m m m
Cell volume: 121.901
Cell parameters: 3.652; 3.652; 9.14; 90; 90; 90;  

COD ID: 1509788
CIF file Formula: - Ag2 Dy -
Comments: Atoji, M. Magnetic strutures of Dy Au2 and Dy Ag2 Journal of Chemical Physics 51 (1969) 3877-3882
Space group: I 4/m m m
Cell volume: 124.631
Cell parameters: 3.683; 3.683; 9.188; 90; 90; 90;  

COD ID: 1509791
CIF file Formula: - Ag2 Er -
Comments: Atoji, M. Magnetic structure of Er Ag2 Journal of Chemical Physics 57 (1972) 851-855
Space group: I 4/m m m
Cell volume: 123.227
Cell parameters: 3.668; 3.668; 9.159; 90; 90; 90;  

COD ID: 1509819
CIF file Formula: - Ag2 Ho -
Comments: Atoji, M. Magnetic structure of Ho Ag2 Journal of Chemical Physics 51 (1969) 3882-3885
Space group: I 4/m m m
Cell volume: 123.254
Cell parameters: 3.669; 3.669; 9.156; 90; 90; 90;  

COD ID: 1510389
CIF file Formula: - Au2 Dy -
Comments: Atoji, M. Magnetic structures of Dy Au2 and Dy Ag2 metals with gold and silver Journal of Chemical Physics 51 (1969) 3877-3882
Space group: I 4/m m m
Cell volume: 121.228
Cell parameters: 3.682; 3.682; 8.942; 90; 90; 90;  

COD ID: 1510393
CIF file Formula: - Au2 Er -
Comments: Atoji, M. Magnetic structure of Er Au2 Journal of Chemical Physics 57 (1972) 2407-2409
Space group: I 4/m m m
Cell volume: 119.619
Cell parameters: 3.662; 3.662; 8.92; 90; 90; 90;  

COD ID: 1510419
CIF file Formula: - Au2 Ho -
Comments: Atoji, M. Magnetic structure of Ho Au2 Journal of Chemical Physics 57 (1972) 2402-2406
Space group: I 4/m m m
Cell volume: 120.872
Cell parameters: 3.677; 3.677; 8.94; 90; 90; 90;  

COD ID: 1510469
CIF file Formula: - Au2 Tb -
Comments: Atoji, M. Magnetic structures of Tb Au2 Journal of Chemical Physics 48 (1968) 560-564
Space group: I 4/m m m
Cell volume: 123.498
Cell parameters: 3.707; 3.707; 8.987; 90; 90; 90;  

COD ID: 1510472
CIF file Formula: - Au2 Tm -
Comments: Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics 52 (1970) 6433-6434
Space group: I 4/m m m
Cell volume: 118.128
Cell parameters: 3.644; 3.644; 8.896; 90; 90; 90;  

COD ID: 1510477
CIF file Formula: - Au2 Yb -
Comments: Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics 52 (1970) 6433-6434
Space group: I 4/m m m
Cell volume: 117.239
Cell parameters: 3.633; 3.633; 8.8826; 90; 90; 90;  

COD ID: 1510681
CIF file Formula: - B2 F4 -
Comments: Trefonas, L.; Lipscomb, W.N. Crystal and molecular structure of diboron tetrafluoride, B2 F4 Journal of Chemical Physics 28 (1958) 54-55
Space group: P 1 21/n 1
Cell volume: 168.787
Cell parameters: 5.486; 6.53; 4.826; 90; 102.5; 90;  

COD ID: 1510736
CIF file Formula: - B2 K3 O12 Ta3 -
Comments: Bernstein, J.L.; Abrahams, S.C.; Cooper, A.S.; Zyontz, L.E.; Remeika, J.P. Piezoelectric K3 Ta3 B2 O12: crystal structure at room temperature and crystal growth Journal of Chemical Physics 75 (1981) 5456-5460
Space group: P -6 2 m
Cell volume: 260.394
Cell parameters: 8.78158; 8.78158; 3.89902; 90; 90; 120;  

COD ID: 1510986
CIF file Formula: - B2 Cl4 -
Comments: Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics 23 (1955) 1176-1176
Space group: P b c a
Cell volume: 574.781
Cell parameters: 11.9; 6.281; 7.69; 90; 90; 90;  

COD ID: 1511048
CIF file Formula: - B Cl3 -
Comments: Lipscomb, W.N.; Atoji, M. B-Cl Distance in Boron Trichloride Journal of Chemical Physics 27 (1957) 195-195
Space group: P 63/m
Cell volume: 209.691
Cell parameters: 6.08; 6.08; 6.55; 90; 90; 120;  

COD ID: 1511482
CIF file Formula: - B4 Mn O7 -
Comments: Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics 60 (1974) 1899-1905
Space group: P b c a
Cell volume: 975.068
Cell parameters: 8.62354; 14.0071; 8.07237; 90; 90; 90;  

COD ID: 1511655
CIF file Formula: - B7 Br Ni3 O13 -
Comments: Svensson, C.; Abrahams, S.C.; Bernstein, J.L. Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure Journal of Chemical Physics 75 (1981) 1912-1918
Space group: P c a 21
Cell volume: 873.482
Cell parameters: 8.5218; 8.5127; 12.0408; 90; 90; 90;  

COD ID: 1523290
CIF file Formula: - Pb0.64 Sb0.36 -
Comments: Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J. Metastable phases in the Pb-Sb and Pb-Bi systems Journal of Chemical Physics 48 (1968) 1905-1911
Space group: I m -3 m
Cell volume: 58.955
Cell parameters: 3.892; 3.892; 3.892; 90; 90; 90;  

COD ID: 1523448
CIF file Formula: - Ho Zn2 -
Comments: Debray, D.; Sougi, M. Magnetic structure of Ho Zn2 Journal of Chemical Physics 57 (1972) 2156-2159
Space group: I m m a
Cell volume: 239.781
Cell parameters: 4.47; 7.048; 7.611; 90; 90; 90;  

COD ID: 1523449
CIF file Formula: - Nd Zn2 -
Comments: Debray, D.; Sougi, M. Magnetic structure of NdZn2 Journal of Chemical Physics 58 (1973) 1783-1786
Space group: I m m a
Cell volume: 257.282
Cell parameters: 4.597; 7.408; 7.555; 90; 90; 90;  

COD ID: 1523903
CIF file Formula: - Mg0.1 Mn0.9 Se -
Comments: Jacobson, A.J.; Fender, B.E.F. Covalency parameters in Mn Se and Mn Se2 Journal of Chemical Physics 52 (1970) 4563-4566
Space group: F -4 3 m
Cell volume: 163.076
Cell parameters: 5.4634; 5.4634; 5.4634; 90; 90; 90;  

COD ID: 1523950
CIF file Formula: - H4 I2 Ni O8 -
Comments: Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A. Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I Journal of Chemical Physics 59 (1973) 2007-2018
Space group: P b c a
Cell volume: 735.45
Cell parameters: 9.14986; 12.209; 6.58353; 90; 90; 90;  

COD ID: 1524075
CIF file Formula: - Ba3.5 Ga15.9912 Si30.0088 -
Comments: Blake, N.P.; Metiu, H.; Latturner, S.; Bryan, D.; Stucky, G.D.; Mollnitz, L. Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30 Journal of Chemical Physics 114 (2001) 10063-10074
Space group: P m -3 n
Cell volume: 1170.81
Cell parameters: 10.5397; 10.5397; 10.5397; 90; 90; 90;  

COD ID: 1524142
CIF file Formula: - Cd La -
Comments: Buschow, K.H.J. Magnetic properties of Cs Cl-type rare-earth cadmium compounds Journal of Chemical Physics 61 (1974) 4666-4670
Space group: P m -3 m
Cell volume: 59.776
Cell parameters: 3.91; 3.91; 3.91; 90; 90; 90;  

COD ID: 1524249
CIF file Formula: - Ce Zn2 -
Comments: Debray, D.; Sougi, M.; Meriel, P. Magnetic structures of Ce Zn2 and Tb Zn2 Journal of Chemical Physics 56 (1972) 4325-4328
Space group: I m m a
Cell volume: 263.103
Cell parameters: 4.639; 7.552; 7.51; 90; 90; 90;  

COD ID: 1524914
CIF file Formula: - Cl3 Cr Cs -
Comments: McPherson, G.L.; Kistenmacher, T.J.; Folkers, J.B.; Stucky, G.D. Effect of exchange coupling on the spectra of transition metal ions. The ligand field spectrum and crystal structure of Cs Cr Cl3 Journal of Chemical Physics 57 (1972) 3771-3780
Space group: P 63 m c
Cell volume: 283.788
Cell parameters: 7.256; 7.256; 6.224; 90; 90; 120;  

COD ID: 1525072
CIF file Formula: - F2 O2 Xe -
Comments: Peterson, S.W.; Willett, R.D.; Huston, J.L. Symmetrie and structure of Xe O2 F2 by neutron diffraction Journal of Chemical Physics 59 (1973) 453-459
Space group: C m c m
Cell volume: 336.749
Cell parameters: 6.443; 6.288; 8.312; 90; 90; 90;  

COD ID: 1525686
CIF file Formula: - Ba8 Ga16 Ge30 -
Comments: Blake, N.P.; Bryan, D.; Metiu, H.; Mollnitz, L.; Stucky, G.D.; Latturner, S. Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30 Journal of Chemical Physics 114 (2001) 10063-10074
Space group: P m -3 n
Cell volume: 1257.26
Cell parameters: 10.793; 10.793; 10.793; 90; 90; 90;  

COD ID: 1525687
CIF file Formula: - Ga16 Ge30 Sr8 -
Comments: Blake, N.P.; Stucky, G.D.; Latturner, S.; Bryan, D.; Mollnitz, L.; Metiu, H. Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30 Journal of Chemical Physics 114 (2001) 10063-10074
Space group: P m -3 n
Cell volume: 1239.46
Cell parameters: 10.7418; 10.7418; 10.7418; 90; 90; 90;  

COD ID: 1525699
CIF file Formula: - Al Cs2 F6 Na -
Comments: Bordallo, H.N.; Henning, R.W.; Sosman, L.P.; Hanif, K.M.; da Fonseca, R.J.M.; Dias Tavares, A.jr.; Strouse, G.F. Structural and vibrational study of chromium doped elpasolite crystals Cs2 Na Al F6 Journal of Chemical Physics 115 (2001) 4300-4305
Space group: R -3 m :H
Cell volume: 987.492
Cell parameters: 6.1811; 6.1811; 29.845; 90; 90; 120;  

COD ID: 1527061
CIF file Formula: - Mn Mo O4 -
Comments: Abrahams, S.C.; Reddy, J.M. Crystal structure of the transition-metal molybdates. I. Para magnetic alpha Mn Mo O4 Journal of Chemical Physics 43 (1965) 2533-2543
Space group: C 1 2/m 1
Cell volume: 683.074
Cell parameters: 10.469; 9.516; 7.143; 90; 106.28; 90;  

COD ID: 1527106
CIF file Formula: - C S2 -
Comments: Baenziger, N.C.; Duax, W.L. Crystal structure and molecular motion of solid carbon disulfide Journal of Chemical Physics 48 (1968) 2974-2981
Space group: C m c a
Cell volume: 319.851
Cell parameters: 6.393; 5.582; 8.963; 90; 90; 90;  

COD ID: 1527285
CIF file Formula: - Tb Zn2 -
Comments: Debray, D.; Meriel, P.; Sougi, M. Magnetic structures of Ce Zn2 and Tb Zn2 Journal of Chemical Physics 56 (1972) 4325-4328
Space group: I m m a
Cell volume: 241.778
Cell parameters: 4.481; 7.122; 7.576; 90; 90; 90;  

COD ID: 1527299
CIF file Formula: - B20 H16 -
Comments: Dobrott, R.D.; Friedman, L.B.; Lipscomb, W.N. Molecular and crystal structure of B20 H16 Journal of Chemical Physics 40 (1964) 866-872
Space group: I 41/a c d :2
Cell volume: 2760.15
Cell parameters: 9.65; 9.65; 29.64; 90; 90; 90;  

COD ID: 1527603
CIF file Formula: - N2 -
Comments: Jordan, T.H.; Smith, H.W.; Streib, W.E.; Lipscomb, W.N. Single-crystal X-Ray diffraction studies of alpha-N2 and beta-N2 Journal of Chemical Physics 41 (1964) 756-759
Space group: P 21 3
Cell volume: 180.362
Cell parameters: 5.65; 5.65; 5.65; 90; 90; 90;  

COD ID: 1528076
CIF file Formula: - B18 H22 -
Comments: Simpson, P.G.; Folting, K.; Lipscomb, W.N.; Dobrott, R.D. Molecular, crystal and valence structures of iso- B18 H22 Journal of Chemical Physics 39 (1963) 2339-2348
Space group: P 1 21/c 1
Cell volume: 1429.61
Cell parameters: 9.199; 13.18; 12.515; 90; 109.58; 90;  

COD ID: 1528208
CIF file Formula: - Cl3 Cu K -
Comments: Willett, R.D.; Dwiggins, C.jr.; Kruh, R.F.; Rundle, R.E. Crystal structures of K Cu Cl3 and N H4 Cu Cl3 Journal of Chemical Physics 38 (1963) 2429-2436
Space group: P 1 21/c 1
Cell volume: 481.23
Cell parameters: 4.029; 13.785; 8.736; 90; 97.33; 90;  

COD ID: 1528209
CIF file Formula: - Cl4 Cu H8 N2 -
Comments: Willett, R.D. Crystal structure of (N H4)2 Cu Cl4 Journal of Chemical Physics 41 (1964) 2243-2244
Space group: C m c a
Cell volume: 801.446
Cell parameters: 15.46; 7.2; 7.2; 90; 90; 90;  

COD ID: 1528239
CIF file Formula: - Ce2 H48 Mg3 N12 O60 -
Comments: Zalkin, A.; Forrester, J.D.; Templeton, D.H. Crystal structure of cerium magnesium nitrate hydrate Journal of Chemical Physics 39 (1963) 2881-2891
Space group: R -3 :H
Cell volume: 3627.5
Cell parameters: 11.004; 11.004; 34.592; 90; 90; 120;  

COD ID: 1528281
CIF file Formula: - Dy Mn2 O5 -
Comments: Abrahams, S.C.; Bernstein, J.L. Crystal structure of paramagnetic Dy Mn2 O5 Journal of Chemical Physics 46 (1967) 3776-3782
Space group: P b a m
Cell volume: 354.905
Cell parameters: 7.294; 8.5551; 5.6875; 90; 90; 90;  

COD ID: 1528282
CIF file Formula: - Mo O4 Zn -
Comments: Abrahams, S.C. Crystal structure of the transition - metal molybdates and tungstates III. Diamagnetic alpha - Zn Mo O4 Journal of Chemical Physics 46 (1967) 2052-2063
Space group: P -1
Cell volume: 513.812
Cell parameters: 9.625; 6.965; 8.373; 103.28; 96.3; 106.72;  

COD ID: 1528322
CIF file Formula: - C2 Ce -
Comments: Atoji, M. Magnetic and crystal structures of Ce C2. Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures Journal of Chemical Physics 46 (1967) 1891-1901
Space group: I 4/m m m
Cell volume: 97.256
Cell parameters: 3.875; 3.875; 6.477; 90; 90; 90;  

COD ID: 1528323
CIF file Formula: - C2 Nd -
Comments: Atoji, M. Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures Journal of Chemical Physics 46 (1967) 1891-1901
Space group: I 4/m m m
Cell volume: 93.245
Cell parameters: 3.82; 3.82; 6.39; 90; 90; 90;  

COD ID: 1528324
CIF file Formula: - C2 Tb -
Comments: Atoji, M. Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures Journal of Chemical Physics 46 (1967) 1891-1901
Space group: I 4/m m m
Cell volume: 83.953
Cell parameters: 3.678; 3.678; 6.206; 90; 90; 90;  

COD ID: 1528325
CIF file Formula: - C2 Ho -
Comments: Atoji, M. Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures Journal of Chemical Physics 46 (1967) 1891-1901
Space group: I 4/m m m
Cell volume: 80.934
Cell parameters: 3.633; 3.633; 6.132; 90; 90; 90;  

COD ID: 1528336
CIF file Formula: - O2 -
Comments: Barrett, C.S.; Meyer, L.; Wasserman, J. Antiferromagnetic and crystal structures of alpha-oxygen Journal of Chemical Physics 47 (1967) 592-597
Space group: C 1 2/m 1
Cell volume: 69.439
Cell parameters: 5.403; 3.429; 5.086; 90; 132.53; 90;  

COD ID: 1528354
CIF file Formula: - F H8 K O4 -
Comments: Beurskens, G.; Jeffrey, G.A. Crystal structure of potassium fluoride tetrahydrate Journal of Chemical Physics 41 (1964) 917-923
Space group: P 1 21/c 1
Cell volume: 600.025
Cell parameters: 6.8; 13.29; 6.64; 90; 90.7; 90;  

COD ID: 1528856
CIF file Formula: - F6 H8 N2 Si -
Comments: Schlemper, E.O.; Hamilton, W.C. On the structure of trigonal ammonium fluorosilicate Journal of Chemical Physics 45 (1966) 408-410
Space group: P -3 m 1
Cell volume: 138.953
Cell parameters: 5.784; 5.784; 4.796; 90; 90; 120;  

COD ID: 1528861
CIF file Formula: - Be F12 Li6 Zr -
Comments: Sears, D.R.; Burns, J.H. Crystal structure of Li6 Be F4 Zr F8 Journal of Chemical Physics 41 (1964) 3478-3483
Space group: I 41/a m d :2
Cell volume: 803.73
Cell parameters: 6.57; 6.57; 18.62; 90; 90; 90;  

COD ID: 1529515
CIF file Formula: - Cd2 K2 O12 S3 -
Comments: Abrahams, S.C.; Bernstein, J.L. Piezoelectric langbeinite-type K2 Cd2 (S O4)3. Room temperature crystal structure and ferroelastic transformation Journal of Chemical Physics 67 (1977) 2146-2150
Space group: P 21 21 21
Cell volume: 1067.22
Cell parameters: 10.2082; 10.2837; 10.1661; 90; 90; 90;  

COD ID: 1529516
CIF file Formula: - Cd2 K2 O12 S3 -
Comments: Abrahams, S.C.; Lissalde, F.; Bernstein, J.L. Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four temperatures below and one above the 432 K ferroelastic- paraelastic transition Journal of Chemical Physics 68 (1978) 1926-1935
Space group: P 21 21 21
Cell volume: 1074.95
Cell parameters: 10.2386; 10.2951; 10.1981; 90; 90; 90;  

COD ID: 1529517
CIF file Formula: - H6 I Na O7 -
Comments: Abrahams, S.C.; Bernstein, J.L. Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure Journal of Chemical Physics 69 (1978) 4234-4237
Space group: R 3 :H
Cell volume: 418.419
Cell parameters: 6.04272; 6.04272; 13.2317; 90; 90; 120;  

COD ID: 1529518
CIF file Formula: - H15 I10 La3 O37 -
Comments: Abrahams, S.C.; Bernstein, J.L. Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V. Journal of Chemical Physics 69 (1978) 2505-2513
Space group: A b a 2
Cell volume: 3479.79
Cell parameters: 13.1801; 21.7208; 12.1551; 90; 90; 90;  

COD ID: 1529519
CIF file Formula: - Mo3 O12 Tb2 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Svensson, C. Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature dependence from 298 K through the transition at 436 K to the antiferroelectric-paraelastic phase at 523 K Journal of Chemical Physics 72 (1980) 4278-4285
Space group: P b a 2
Cell volume: 1146.41
Cell parameters: 10.3656; 10.3876; 10.6471; 90; 90; 90;  

COD ID: 1529520
CIF file Formula: - C6 Au3 Co K N6 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Eisenmann, E.T.; Liminga, R. Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of cobalt-hardened gold electrodeposition process component Journal of Chemical Physics 73 (1980) 4585-4590
Space group: P 3 1 2
Cell volume: 315.256
Cell parameters: 6.82802; 6.82802; 7.80807; 90; 90; 120;  

COD ID: 1529521
CIF file Formula: - F10 O9 Pb5 W3 -
Comments: Abrahams, S.C.; Marsh, P.; Ravez, J. Ferroelectric structure and related properties of Pb5 W3 O9 F10 Journal of Chemical Physics 87 (1987) 6012-6020
Space group: I 4
Cell volume: 1566.27
Cell parameters: 14.583; 14.583; 7.365; 90; 90; 90;  

COD ID: 1529595
CIF file Formula: - Al22 H3.08 Li2 O35.54 -
Comments: Bates, J.B.; Wang, J.-C.; Dudney, N.J.; Brown, G.M.; Frech, R.E. Structure and spectra of H2 O in hydrated beta-alumina Journal of Chemical Physics 77 (1982) 4838-4856
Space group: P 63/m m c
Cell volume: 614.925
Cell parameters: 5.591; 5.591; 22.715; 90; 90; 120;  

COD ID: 1529706
CIF file Formula: - Cl F3 -
Comments: Burbank, R.D.; Bensey, F. The structures of the interhalogen compounds. I. Chlorine trifluoride at -120 C Journal of Chemical Physics 21 (1953) 602-608
Space group: P n m a
Cell volume: 242.786
Cell parameters: 8.82; 6.09; 4.52; 90; 90; 90;  

COD ID: 1529724
CIF file Formula: - C2 H8 Cl2 Co N4 O4 -
Comments: Carlin, R.L.; Sinn, E.; Joung, K.O.; den Adel, H.; van der Bilt, A.; O'Connor, C.J. Structural and magnetic properties of Co (urea)2 Cl2 (H2 O)2: A two-dimensional Ising system with hidden canting Journal of Chemical Physics 75 (1981) 431-439
Space group: P 1 21/c 1
Cell volume: 505.016
Cell parameters: 7.397; 7.795; 9.764; 90; 116.23; 90;  

COD ID: 1530224
CIF file Formula: - D2 O -
Comments: Kuhs, W.F.; Finney, J.L.; Vettier, C.; Bliss, D.V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics 81 (1984) 3612-3623
Space group: I 41/a m d :2
Cell volume: 146.871
Cell parameters: 4.656; 4.656; 6.775; 90; 90; 90;  

COD ID: 1530236
CIF file Formula: - N2 O4 -
Comments: Kvick, A.; McMullan, R.K.; Newton, M.D. The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at 100, 60, and 20 K and ab initio theoretical calculations Journal of Chemical Physics 76 (1982) 3754-3761
Space group: I m -3
Cell volume: 455.413
Cell parameters: 7.6937; 7.6937; 7.6937; 90; 90; 90;  

COD ID: 1530237
CIF file Formula: - Ba H2 N2 O5 -
Comments: Kvick, A.; Abrahams, S.C.; Liminga, R. Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K Journal of Chemical Physics 76 (1982) 5508-5514
Space group: P 65
Cell volume: 775.539
Cell parameters: 7.0749; 7.0749; 17.8909; 90; 90; 120;  

COD ID: 1530293
CIF file Formula: - Gd I3 O9 -
Comments: Liminga, R.; Abrahams, S.C.; Bernstein, J.L. Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal Iodates. IV Journal of Chemical Physics 67 (1977) 1015-1023
Space group: P 1 21/a 1
Cell volume: 805.403
Cell parameters: 13.4365; 8.5226; 7.1356; 90; 99.717; 90;  

COD ID: 1530294
CIF file Formula: - Cs2 O6 S2 -
Comments: Liminga, R.; Abrahams, S.C.; Bernstein, J.L. Piezoelectric Cs2 S2 O6. Room temperature crystal structure Journal of Chemical Physics 73 (1980) 1432-1438
Space group: P 63 m c
Cell volume: 403.784
Cell parameters: 6.35658; 6.35658; 11.5391; 90; 90; 120;  

COD ID: 1530380
CIF file Formula: - O3 Pu2 -
Comments: McCart, B.; Lander, G.H.; Aldred, A.T. Structural and magnetic studies of hexagonal beta-plutonium(III)-242 oxide Journal of Chemical Physics 74 (1981) 5263-5268
Space group: P -3 m 1
Cell volume: 75.498
Cell parameters: 3.8381; 3.8381; 5.918; 90; 90; 120;  

COD ID: 1530503
CIF file Formula: - Cl5 Cs2 Fe H2 O -
Comments: O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E. Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements Journal of Chemical Physics 70 (1979) 5161-5167
Space group: C m c m
Cell volume: 1040.31
Cell parameters: 7.442; 17.307; 8.077; 90; 90; 90;  

COD ID: 1530504
CIF file Formula: - Cl5 Fe H2 O Rb2 -
Comments: O'Connor, C.J.; Deaver, B.S.jr.; Sinn, E. Crystal structures of A2 Fe Cl5 (H2 O) (A = Rb(+), Cs(+)) and field dependent superconducting susceptometer measurements Journal of Chemical Physics 70 (1979) 5161-5167
Space group: P n m a
Cell volume: 973.526
Cell parameters: 13.825; 9.918; 7.1; 90; 90; 90;  

COD ID: 1530644
CIF file Formula: - H0.76 Nb S2 -
Comments: Riekel, C.; Reznik, H.G.; Schoellhorn, R.; Wright, C.J. Neutron diffraction study on formation and structure of Dx Ta S2 and Hx Nb S2 Journal of Chemical Physics 70 (1979) 5203-5212
Space group: P 63/m m c
Cell volume: 119.7
Cell parameters: 3.34; 3.34; 12.39; 90; 90; 120;  

COD ID: 1530988
CIF file Formula: - K1.59 Mg0.77 O16 Ti7.23 -
Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484
Space group: I 4/m
Cell volume: 305.1
Cell parameters: 10.138; 10.138; 2.9685; 90; 90; 90;  

COD ID: 1530989
CIF file Formula: - K1.58 Mg0.77 O16 Ti7.23 -
Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484
Space group: I 4/m
Cell volume: 307.623
Cell parameters: 10.167; 10.167; 2.976; 90; 90; 90;  

COD ID: 1530990
CIF file Formula: - K1.6 Mg0.77 O16 Ti7.23 -
Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484
Space group: I 4/m
Cell volume: 311.105
Cell parameters: 10.197; 10.197; 2.992; 90; 90; 90;  

COD ID: 1531491
CIF file Formula: - Cs D S -
Comments: Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L. Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations Journal of Chemical Physics 117 (2002) 4961-4972
Space group: I 4/m
Cell volume: 607.103
Cell parameters: 8.202; 8.202; 9.0245; 90; 90; 90;  

COD ID: 1531495
CIF file Formula: - Cs D S -
Comments: Haarmann, F.; Jacobs, H.; Kennedy, C.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Qiu, L.; White, M.A. Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations Journal of Chemical Physics 117 (2002) 4961-4972
Space group: P 4/m b m
Cell volume: 154.702
Cell parameters: 5.8465; 5.8465; 4.5259; 90; 90; 90;  

COD ID: 1531498
CIF file Formula: - Cs D S -
Comments: Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Senker, J.; Mueller, P.; Marriott, R.A.; Kennedy, C.A.; Qiu, L. Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations Journal of Chemical Physics 117 (2002) 4961-4972
Space group: P m -3 m
Cell volume: 81.02
Cell parameters: 4.3271; 4.3271; 4.3271; 90; 90; 90;  

COD ID: 1531648
CIF file Formula: - Gd2 Mo3 O12 -
Comments: Keve, E.T.; Abrahams, S.C.; Bernstein, J.L. Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI Journal of Chemical Physics 54 (1971) 3185-3194
Space group: P b a 2
Cell volume: 1157.84
Cell parameters: 10.3858; 10.4186; 10.7004; 90; 90; 90;  

COD ID: 1531931
CIF file Formula: - Be F2 -
Comments: Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics 56 (1972) 1905-1909
Space group: P 62 2 2
Cell volume: 111.868
Cell parameters: 4.9; 4.9; 5.38; 90; 90; 120;  

COD ID: 1531932
CIF file Formula: - O1.76 Si0.88 -
Comments: Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics 56 (1972) 1905-1909
Space group: P 62 2 2
Cell volume: 118.862
Cell parameters: 5; 5; 5.49; 90; 90; 120;  

COD ID: 1531970
CIF file Formula: - Cl K O3 -
Comments: Pistorius, C.W.F.T. Lattice constants of the high-pressure phase K Cl O3 (II) Journal of Chemical Physics 56 (1972) 6263-6264
Space group: R 3 m :R
Cell volume: 77.241
Cell parameters: 4.273; 4.273; 4.273; 85.2; 85.2; 85.2;  

COD ID: 1532206
CIF file Formula: - Cl2 Fe H8 O4 -
Comments: Verbist, J.J.; Hamilton, W.C.; Lehmann, M.S.; Koetzle, T.F. Neutron Diffraction Study of Iron(II) Chloride Tetrahydrate, Fe Cl2 (H2 O)4 Journal of Chemical Physics 56 (1972) 3257-3264
Space group: P 1 21/c 1
Cell volume: 335.656
Cell parameters: 5.885; 7.18; 8.514; 90; 111.09; 90;  

COD ID: 1533171
CIF file Formula: - D7 N O2 -
Comments: Fortes, A.D.; Wood, I.G.; Brodholt, J.P.; Alfredsson, M.; Knight, K.S.; Vocadlo, L.; McGrady, G.S. A high-resolution neutron powder diffraction study of ammonia dihydrate ((N D3) * 2(D2 O)) phase I Journal of Chemical Physics 119 (2003) 10806-10813
Space group: P 21 3
Cell volume: 356.668
Cell parameters: 7.091771; 7.091771; 7.091771; 90; 90; 90;  

COD ID: 1534137
CIF file Formula: - Bi12 Ge O20 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Jamieson, P.B. Crystal Structure of Piezoelectric Bismuth Germanium Oxide Bi12 Ge O20 Journal of Chemical Physics 47 (1967) 4034-4041
Space group: I 2 3
Cell volume: 1044.29
Cell parameters: 10.1455; 10.1455; 10.1455; 90; 90; 90;  

COD ID: 1534588
CIF file Formula: - I Li O3 -
Comments: Liminga, R.; Svensson, C.; Albertsson, J.; Abrahams, S.C. gamma-lithium iodate at 515 K and the alpha-Li I O3 to gamma-Li I O3, gamma-Li I O3 to beta-Li I O3 phase transitions Journal of Chemical Physics 77 (1982) 4222-4226
Space group: P n a 21
Cell volume: 292.734
Cell parameters: 9.422; 5.861; 5.301; 90; 90; 90;  

COD ID: 1535167
CIF file Formula: - D2.808 H0.192 Na O6 Se2 -
Comments: McMullan, R.K.; Thomas, R.; Nagle, J.F. Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state Journal of Chemical Physics 77 (1982) 537-547
Space group: P 1 21/n 1
Cell volume: 291.106
Cell parameters: 10.365; 4.85; 5.792; 90; 91.16; 90;  

COD ID: 1535170
CIF file Formula: - D2.824 H0.176 Na O6 Se2 -
Comments: McMullan, R.K.; Nagle, J.F.; Thomas, R. Structures of the paraelectric and ferroelectric phases of Na D3 (Se O3)2 by neutron diffraction: A vertex model for the ordered ferroelectric state Journal of Chemical Physics 77 (1982) 537-547
Space group: P 1 n 1
Cell volume: 574.731
Cell parameters: 10.314; 9.663; 5.768; 90; 91.23; 90;  

COD ID: 1537153
CIF file Formula: - D1.86 O V3 Zr3 -
Comments: Rotella, F.J.; Jorgensen, J.D.; Flotow, H.E.; Gruen, D.M. Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction Journal of Chemical Physics 79 (1983) 4522-4531
Space group: F d -3 m :1
Cell volume: 1868.82
Cell parameters: 12.3175; 12.3175; 12.3175; 90; 90; 90;  

COD ID: 1537157
CIF file Formula: - D2.85 O V3 Zr3 -
Comments: Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D. Deuterium site oxxupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction Journal of Chemical Physics 79 (1983) 4522-4531
Space group: F d -3 m :1
Cell volume: 1897.73
Cell parameters: 12.3807; 12.3807; 12.3807; 90; 90; 90;  

COD ID: 1537161
CIF file Formula: - D4.93 O V3 Zr3 -
Comments: Rotella, F.J.; Flotow, H.E.; Gruen, D.M.; Jorgensen, J.D. Deuterium site occupation in the oxygen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction Journal of Chemical Physics 79 (1983) 4522-4531
Space group: F d -3 m :1
Cell volume: 1965.34
Cell parameters: 12.526; 12.526; 12.526; 90; 90; 90;  

COD ID: 1537165
CIF file Formula: - O V3 Zr3 -
Comments: Rotella, F.J.; Gruen, D.M.; Flotow, H.E.; Jorgensen, J.D. Deuterium site occupation in the oxvgen-stabilized eta-carbides Zr3 V3 O Dx: Preparation and neutron powder diffraction Journal of Chemical Physics 79 (1983) 4522-4531
Space group: F d -3 m :1
Cell volume: 1802.62
Cell parameters: 12.1703; 12.1703; 12.1703; 90; 90; 90;  

COD ID: 1537208
CIF file Formula: - Al4 Ba2 H14 O27 Si6 -
Comments: Kvick, A.; Smith, J.V. A neutron diffraction study of the zeolite edingtonite Journal of Chemical Physics 79 (1983) 2356-2362
Space group: P 21 21 2
Cell volume: 599.099
Cell parameters: 9.537; 9.651; 6.509; 90; 90; 90;  

COD ID: 1537511
CIF file Formula: - Ba Co F4 -
Comments: Keve, E.T.; Abrahams, S.C.; Bernstein, J.L. Ferroelectric Paraelastic Paramagnetic Barium Cobalt Fluoride, Ba Co F4, Crystal Structure Journal of Chemical Physics 53 (1970) 3279-3287
Space group: A 21 a m
Cell volume: 360.4
Cell parameters: 5.8519; 14.628; 4.2102; 90; 90; 90;  

COD ID: 1537605
CIF file Formula: - C4 Au2 Co N4 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Zyontz, L.E. Coblat cyanoaurate: Crystal structure of a component from cobalt-hardened gold electroplating baths Journal of Chemical Physics 76 (1982) 5458-5462
Space group: P 64 2 2
Cell volume: 1274.86
Cell parameters: 8.434; 8.434; 20.695; 90; 90; 120;  

COD ID: 1537669
CIF file Formula: - D2 O -
Comments: Arnold, G.P.; Finch, E.D.; Wenzel, R.G.; Rabideau, S.W. Neutron-diffraction study of ice polymorphs. III. Ice Ic Journal of Chemical Physics 49 (1968) 4365-4369
Space group: F d -3 m :1
Cell volume: 256.411
Cell parameters: 6.353; 6.353; 6.353; 90; 90; 90;  

COD ID: 1537759
CIF file Formula: - Po -
Comments: Beamer, W.H.; Maxwell, C.R. Physical properties of polonium. II. X-Ray studies and crystal structure Journal of Chemical Physics 17 (1949) 1293-1298
Space group: R -3 m :H
Cell volume: 109.824
Cell parameters: 5.079; 5.079; 4.916; 90; 90; 120;  

COD ID: 1537866
CIF file Formula: - Pb3.33 Sb0.7 -
Comments: Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J. Metastable phases in the Pb-Sb and Pb-Bi systems Journal of Chemical Physics 48 (1968) 1905-1911
Space group: F m -3 m
Cell volume: 118.154
Cell parameters: 4.907; 4.907; 4.907; 90; 90; 90;  

COD ID: 1537965
CIF file Formula: - In3 Pr -
Comments: Buschow, K.H.J.; van Diepen, A.M.; de Wijn, H.W. Magnetic susceptibilities of rare-earth-Indium compounds: R In3 Journal of Chemical Physics 50 (1969) 137-141
Space group: P m -3 m
Cell volume: 101.893
Cell parameters: 4.6707; 4.6707; 4.6707; 90; 90; 90;  

COD ID: 1537967
CIF file Formula: - In3 Yb -
Comments: Buschow, K.H.J.; de Wijn, H.W.; van Diepen, A.M. Magnetic susceptibilities of rare-earth-Indium compounds: R In3 Journal of Chemical Physics 50 (1969) 137-141
Space group: P m -3 m
Cell volume: 98.036
Cell parameters: 4.611; 4.611; 4.611; 90; 90; 90;  

COD ID: 1538030
CIF file Formula: - O4 Pt3 -
Comments: Galloni, E.E.; Roffo, A.E.jr. The crystalline structure of Pt3 O4 Journal of Chemical Physics 9 (1941) 875-877
Space group: I m -3
Cell volume: 242.737
Cell parameters: 6.238; 6.238; 6.238; 90; 90; 90;  

COD ID: 1538173
CIF file Formula: - H2 O -
Comments: Goto, A.; Hondoh, T.; Mae, S. The electron density distribution in ice Ih determined by single-crystal X-ray diffractometry Journal of Chemical Physics 93 (1990) 1412-1417
Space group: P 63/m m c
Cell volume: 129.171
Cell parameters: 4.506; 4.506; 7.346; 90; 90; 120;  

COD ID: 1538299
CIF file Formula: - P -
Comments: Hubtgren, R.; Gingrich, N.S.; Warren, B.E. The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus Journal of Chemical Physics 3 (1935) 351-351
Space group: C m c a
Cell volume: 153.107
Cell parameters: 3.316; 10.52; 4.389; 90; 90; 90;  

COD ID: 1538347
CIF file Formula: - Ga2 O3 -
Comments: Marezio, M.; Remeika, J.P. Bond lengths in the alpha-Ga2 O3 structure and the high-pressure phase of Ga2-X FeX O3 Journal of Chemical Physics 46 (1967) 1862-1865
Space group: R -3 c :H
Cell volume: 288.801
Cell parameters: 4.9825; 4.9825; 13.433; 90; 90; 120;  

COD ID: 1538564
CIF file Formula: - Mg0.4 Mn3.6 Se4 -
Comments: Jacobson, A.J.; Fender, B.E.F. Covalency parameters in Mn Se and Mn Se2 Journal of Chemical Physics 52 (1970) 4563-4566
Space group: F m -3 m
Cell volume: 163.076
Cell parameters: 5.4634; 5.4634; 5.4634; 90; 90; 90;  

COD ID: 1538597
CIF file Formula: - D2 O -
Comments: Leadbetter, A.J.; Tucker, P.A.; Ward, R.C.; Clark, J.W.; Suga, H.; Matsuo, T. The equilibrium low-structure of ice Journal of Chemical Physics 82 (1985) 424-428
Space group: P 63/m m c
Cell volume: 128.84
Cell parameters: 4.504; 4.504; 7.3337; 90; 90; 120;  

COD ID: 1538611
CIF file Formula: - D2 O -
Comments: Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics 83(1) (1985) 329-333
Space group: P n -3 m :2
Cell volume: 37.599
Cell parameters: 3.3501; 3.3501; 3.3501; 90; 90; 90;  

COD ID: 1539159
CIF file Formula: - H2 Y -
Comments: Uhrich, D.L. Measurement of the lattice constant in the dihydrides of Gd-Y alloys Journal of Chemical Physics 44 (1966) 2202-2203
Space group: F m -3 m
Cell volume: 144.29
Cell parameters: 5.245; 5.245; 5.245; 90; 90; 90;  

COD ID: 1540224
CIF file Formula: - Sr Zn13 -
Comments: Ketelaar, J. The crystal structure of alloys of zinc with the alkali and alkaline earth metals and of cadmium with potassium Journal of Chemical Physics 5 (1937) 668-668
Space group: F m -3 c
Cell volume: 1833.77
Cell parameters: 12.24; 12.24; 12.24; 90; 90; 90;  

COD ID: 1540885
CIF file Formula: - C F4 -
Comments: Sataty, Y.A.; Herbstein, F.H.; Ron, A. Carbon tetrafluoride-phase II: Far-infrared spectrum and crystal structure Journal of Chemical Physics 62 (1975) 1094-1097
Space group: C 1 2/c 1
Cell volume: 266.403
Cell parameters: 8.435; 4.32; 8.478; 90; 120.42; 90;  

COD ID: 1541116
CIF file Formula: - C F4 -
Comments: Pepe, G.; Gay, J.M. Structure of alpha-C F4 at low temperature Journal of Chemical Physics 90 (1989) 5735-5737
Space group: C 1 2/c 1
Cell volume: 265.698
Cell parameters: 8.435; 4.32; 8.48; 90; 120.7; 90;  

COD ID: 1541403
CIF file Formula: - Ga2 Ni O4 -
Comments: Greenwald, S.; Grannis, F.H.; Pickart, S.J. Cation distribution and g-Factors of certain spinels containing Ni(II), Mn(II), Co(II), Al(III), Ga(III), and Fe(III) Journal of Chemical Physics 22 (1954) 1597-1600
Space group: F d -3 m :1
Cell volume: 563.151
Cell parameters: 8.258; 8.258; 8.258; 90; 90; 90;  

COD ID: 1541413
CIF file Formula: - B H4 Na -
Comments: Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics 22(3) (1954) 434-436
Space group: F m -3 m
Cell volume: 234.144
Cell parameters: 6.1635; 6.1635; 6.1635; 90; 90; 90;  

COD ID: 1541415
CIF file Formula: - B H4 K -
Comments: Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics 22(3) (1954) 434-436
Space group: F m -3 m
Cell volume: 304.441
Cell parameters: 6.7272; 6.7272; 6.7272; 90; 90; 90;  

COD ID: 1541417
CIF file Formula: - B H4 Rb -
Comments: Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics 22(3) (1954) 434-436
Space group: F m -3 m
Cell volume: 347.281
Cell parameters: 7.029; 7.029; 7.029; 90; 90; 90;  

COD ID: 1541419
CIF file Formula: - B Cs H4 -
Comments: Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics 22(3) (1954) 434-436
Space group: F m -3 m
Cell volume: 408.353
Cell parameters: 7.419; 7.419; 7.419; 90; 90; 90;  

COD ID: 1541428
CIF file Formula: - C2 Ca -
Comments: Atoji, M. Neutron structure analysis of cubic Ca C2 and K C N Journal of Chemical Physics 54 (1971) 3514-3516
Space group: F m -3 m
Cell volume: 203.92
Cell parameters: 5.886; 5.886; 5.886; 90; 90; 90;  

COD ID: 1541430
CIF file Formula: - C K N -
Comments: Atoji, M. Neutron structure analysis of cubic Ca C2 and K C N Journal of Chemical Physics 54 (1971) 3514-3516
Space group: F m -3 m
Cell volume: 275.894
Cell parameters: 6.51; 6.51; 6.51; 90; 90; 90;  

COD ID: 1541550
CIF file Formula: - C K N -
Comments: Price, D.L.; Rowe, J.M.; Rush, J.J.; Susman, S.; Prince, E.; Hinks, D.G. Single crystal neutron diffraction study of potassium cyanide Journal of Chemical Physics 56 (1972) 3697-3702
Space group: F m -3 m
Cell volume: 277.551
Cell parameters: 6.523; 6.523; 6.523; 90; 90; 90;  

COD ID: 1541579
CIF file Formula: - H2 O -
Comments: Shallcross, F.V.; Carpenter, G.B. X-ray diffraction study of the cubic phase of ice Journal of Chemical Physics 26 (1957) 782-784
Space group: F d -3 m :1
Cell volume: 258.475
Cell parameters: 6.37; 6.37; 6.37; 90; 90; 90;  

COD ID: 1541599
CIF file Formula: - Fe2.5 Li0.5 O4 -
Comments: de Boer, F.; van Santen, J.H.; Verwey, E.J.W. The Electrostatic Contribution to the Lattice Energy of Some Ordered Spinels Journal of Chemical Physics 18 (1950) 1032-1034
Space group: F d -3 m :1
Cell volume: 590.59
Cell parameters: 8.39; 8.39; 8.39; 90; 90; 90;  

COD ID: 1541602
CIF file Formula: - C O17 S2 -
Comments: von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics 19 (1951) 1319-1320
Space group: F d -3 m :1
Cell volume: 5088.45
Cell parameters: 17.2; 17.2; 17.2; 90; 90; 90;  

COD ID: 1541604
CIF file Formula: - C H2 O17 -
Comments: von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics 19 (1951) 1319-1320
Space group: F d -3 m :1
Cell volume: 5088.45
Cell parameters: 17.2; 17.2; 17.2; 90; 90; 90;  

COD ID: 1541606
CIF file Formula: - C3 O17 -
Comments: von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics 19 (1951) 1319-1320
Space group: F d -3 m :1
Cell volume: 5088.45
Cell parameters: 17.2; 17.2; 17.2; 90; 90; 90;  

COD ID: 1541608
CIF file Formula: - C N2 O17 -
Comments: von Stackelberg, M.; Mueller, H.R. On the Srtucture of Gas Hydrates Journal of Chemical Physics 19 (1951) 1319-1320
Space group: F d -3 m :1
Cell volume: 5088.45
Cell parameters: 17.2; 17.2; 17.2; 90; 90; 90;  

COD ID: 1541737
CIF file Formula: - B9 H15 -
Comments: Dickerson, R.E.; Wheatley, P.J.; Howell, P.A.; Lipscomb, W.N. Crystal and molecular structure of B9 H15 Journal of Chemical Physics 27 (1957) 200-209
Space group: P 1 21/n 1
Cell volume: 870.304
Cell parameters: 11.8; 6.94; 11.25; 90; 109.15; 90;  

COD ID: 1541878
CIF file Formula: - F9 U2 -
Comments: Zachariasen, W.H. The crystal structure of U2 F9 Journal of Chemical Physics 16 (1948) 425-425
Space group: I -4 3 m
Cell volume: 604.316
Cell parameters: 8.4545; 8.4545; 8.4545; 90; 90; 90;  

COD ID: 1541935
CIF file Formula: - O12 Sc2 W3 -
Comments: Abrahams, S.C.; Bernstein, J.L. Crystal Structure of the Transition-Metal Molybdates and Tungstates. II. Diamagnetic Sc2 (W O4)3 Journal of Chemical Physics 45 (1966) 2745-2752
Space group: P n c a
Cell volume: 1216.72
Cell parameters: 9.596; 13.33; 9.512; 90; 90; 90;  

COD ID: 1541942
CIF file Formula: - C2 Na2 -
Comments: Atoji, M. Crystal structure determination of disodium acetylide, Na2 C2, by neutron diffraction Journal of Chemical Physics 60 (1974) 3324-3327
Space group: I 41/a c d :1
Cell volume: 576.262
Cell parameters: 6.743; 6.743; 12.674; 90; 90; 90;  

COD ID: 1542037
CIF file Formula: - Ba Cl2 H2 O7 -
Comments: Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R. Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O Journal of Chemical Physics 48 (1968) 1883-1890
Space group: I 1 2/c 1
Cell volume: 656.814
Cell parameters: 8.916; 7.832; 9.425; 90; 93.65; 90;  

COD ID: 1542173
CIF file Formula: - H2 -
Comments: Barrett, C.S.; Meyer, L.; Wassermann, J. Crystal structure of solid hydroegn and deuterium, and of neon-hydrogen and neon-deuterium mixtures Journal of Chemical Physics 45 (1966) 834-837
Space group: I 2 3
Cell volume: 141.421
Cell parameters: 5.21; 5.21; 5.21; 90; 90; 90;  

COD ID: 1542174
CIF file Formula: - D2 -
Comments: Barrett, C.S.; Meyer, L.; Wassermann, J. Crystal structure of solid hydrogen and deuterium, and of neon-hydrogen and neon-deuterium mixtures Journal of Chemical Physics 45 (1966) 834-837
Space group: I 2 3
Cell volume: 141.421
Cell parameters: 5.21; 5.21; 5.21; 90; 90; 90;  

COD ID: 1551105
CIF file Formula: - D0.25 K1.25 O4 S -
Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504
Space group: A 1 2/a 1
Cell volume: 792.89
Cell parameters: 9.777; 5.674; 14.667; 90; 102.97; 90;  

COD ID: 1551106
CIF file Formula: - D K3 O8 S2 -
Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504
Space group: A 1 2/a 1
Cell volume: 795.49
Cell parameters: 9.7776; 5.681; 14.7008; 90; 103.051; 90;  

COD ID: 1551107
CIF file Formula: - H K3 O8 S2 -
Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504
Space group: A 1 2/a 1
Cell volume: 774.26
Cell parameters: 9.6996; 5.6344; 14.5241; 90; 102.728; 90;  

COD ID: 1551108
CIF file Formula: - H K3 O8 S2 -
Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504
Space group: A 1 2/a 1
Cell volume: 774.54
Cell parameters: 9.7038; 5.6385; 14.5256; 90; 102.953; 90;  

COD ID: 1551109
CIF file Formula: - H K3 O8 S2 -
Comments: Francois Fillaux; Alain Cousson Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2 : Infinite square-wells and quantum phase transition Journal of Chemical Physics 137 (2012) 074504
Space group: A 1 2/a 1
Cell volume: 799.12
Cell parameters: 9.8061; 5.6869; 14.7024; 90; 102.926; 90;  

COD ID: 1566642
CIF file Formula: - D2 O -
Comments: Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics 81 (1984) 3612
Space group: P n -3 m :2
Cell volume: 37.39
Cell parameters: 3.344; 3.344; 3.344; 90; 90; 90;  

COD ID: 1566643
CIF file Formula: - D2 O -
Comments: Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. Structure and hydrogen ordering in ices VI, VII, and VIII by neutron powder diffraction Journal of Chemical Physics 81 (1984) 3612
Space group: I 41/a m d :2
Cell volume: 148.46
Cell parameters: 4.669; 4.669; 6.81; 90; 90; 90;  

COD ID: 1566716
CIF file Formula: - D2 O -
Comments: Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics 83(1) (1985) 329-333
Space group: P n -3 m :2
Cell volume: 37.5987
Cell parameters: 3.3501; 3.3501; 3.3501; 90; 90; 90;  

COD ID: 5000205
CIF file Formula: - C5 H5 N -
Comments: Mootz, D.; Wussow, H.-G. Crystal structures of pyridine and pyridine trihydrate Journal of Chemical Physics 75(3) (1981) 1517-1522
Space group: P n a 21
Cell volume: 1784.23
Cell parameters: 17.524; 8.969; 11.352; 90; 90; 90;  

COD ID: 5000222
CIF file Formula: - Ca F2 -
Comments: Batchelder, D N; Simmons, R O Journal of Chemical Physics 41 (1964) 2324-2329
Space group: F m -3 m
Cell volume: 163
Cell parameters: 5.4625; 5.4625; 5.4625; 90; 90; 90;  

COD ID: 9009872
CIF file Formula: - C2 H8 Cl3 Cu N -
Comments: Willett, Roger D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics 44(1) (1966) 39-42
Space group: I 1 2/a 1
Cell volume: 1498.91
Cell parameters: 12.09; 8.63; 14.49; 90; 97.5; 90;  

COD ID: 9009873
CIF file Formula: - Cl2 Co H4 O2 -
Comments: Morosin, B. Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 5 K Journal of Chemical Physics 44 (1966) 252-257
Space group: C 1 2/m 1
Cell volume: 216.346
Cell parameters: 7.2069; 8.4978; 3.5639; 90; 97.6; 90;  

COD ID: 9009874
CIF file Formula: - Cl2 Co H4 O2 -
Comments: Morosin, B. Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 298 K Journal of Chemical Physics 44 (1966) 252-257
Space group: C 1 2/m 1
Cell volume: 220.235
Cell parameters: 7.2789; 8.5533; 3.5686; 90; 97.58; 90;  

COD ID: 9009875
CIF file Formula: - C2 H10 Cu O8 -
Comments: Okada, K.; Kay, M. I.; Cromer, D. T.; Almodovar, I. Crystal structure by neutron diffraction and the antiferroelectric phase transition in copper formate tetrahydrate Journal of Chemical Physics 44 (1966) 1648-1653
Space group: P 1 21/a 1
Cell volume: 415.44
Cell parameters: 8.15; 8.18; 6.35; 90; 101.083; 90;  

COD ID: 9009876
CIF file Formula: - F6 O2 Pt -
Comments: Ibers, J. A.; Hamilton, W. C. Crystal structure of O2PtF6: A neutron-diffraction study Journal of Chemical Physics 44 (1966) 1748-1752
Space group: I a -3
Cell volume: 1009.63
Cell parameters: 10.032; 10.032; 10.032; 90; 90; 90;  

COD ID: 9009877
CIF file Formula: - Fe3 H8 O12 P2 -
Comments: Abrahams, S. C.; Bernstein, J. L. Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K Sample: T = 298 K Journal of Chemical Physics 44 (1966) 2223-2229
Space group: P 1 21/a 1
Cell volume: 449.084
Cell parameters: 10.541; 4.646; 9.324; 90; 100.43; 90;  

COD ID: 9009878
CIF file Formula: - Fe3 H8 O12 P2 -
Comments: Abrahams, S. C. Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K Sample: T = 4.2 K Journal of Chemical Physics 44 (1966) 2230-2237
Space group: P 1 21/a 1
Cell volume: 446.002
Cell parameters: 10.541; 4.638; 9.285; 90; 100.728; 90;  

COD ID: 9009879
CIF file Formula: - F6 H8 N2 Si -
Comments: Schlemper, E. O.; Hamilton, W. C.; Rush, J. J. Structure of cubic ammonium fluosilicate: Neutron-diffraction and neutron-inelastic-scattering studies Journal of Chemical Physics 44 (1966) 2499-2505
Space group: F m -3 m
Cell volume: 591.646
Cell parameters: 8.395; 8.395; 8.395; 90; 90; 90;  

COD ID: 9009880
CIF file Formula: - Al Li O2 -
Comments: Marezio, M.; Remeika, J. P. High-pressure synthesis and crystal structure of alpha-LiAlO2 Journal of Chemical Physics 44 (1966) 3143-3144
Space group: R -3 m :H
Cell volume: 96.542
Cell parameters: 2.8003; 2.8003; 14.216; 90; 90; 120;  

COD ID: 9009881
CIF file Formula: - B Li O2 -
Comments: Marezio, M.; Remeika, J. P. Polymorphism of LiMO2 compounds and high-pressure single-crystal synthesis of LiBO2 Note: this is the gamma phase, synthesized at 15 kbar and 950 C Journal of Chemical Physics 44 (1966) 3348-3353
Space group: I -4 2 d
Cell volume: 114.644
Cell parameters: 4.1961; 4.1961; 6.5112; 90; 90; 90;  

COD ID: 9009882
CIF file Formula: - H8 N2 O4 S -
Comments: Schlemper, E. O.; Hamilton, W. C. Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: paraelectric, T = 298 K Locality: synthetic Journal of Chemical Physics 44 (1966) 4498-4509
Space group: P n a m
Cell volume: 496.037
Cell parameters: 7.782; 10.636; 5.993; 90; 90; 90;  

COD ID: 9009883
CIF file Formula: - H8 N2 O4 S -
Comments: Schlemper, E. O.; Hamilton, W. C. Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: ferroelectric, T = 180 K Locality: synthetic Journal of Chemical Physics 44 (1966) 4498-4509
Space group: P n a 21
Cell volume: 496.159
Cell parameters: 7.837; 10.61; 5.967; 90; 90; 90;  

COD ID: 9009884
CIF file Formula: - Co H O2 -
Comments: Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J. Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: X-ray study Note: polytype known as Heterogenite-3R Journal of Chemical Physics 50 (1969) 1920-1927
Space group: R -3 m :H
Cell volume: 92.566
Cell parameters: 2.851; 2.851; 13.15; 90; 90; 120;  

COD ID: 9009885
CIF file Formula: - Co D O2 -
Comments: Delaplane, R. G.; Ibers, J. A.; Ferraro, J. R.; Rush, J. J. Diffraction and spectroscopic studies of the cobaltic acid system HCoO2 - DCoO2 Note: Neutron study Note: polytype known as Heterogenite-3R Journal of Chemical Physics 50 (1969) 1920-1927
Space group: R -3 m :H
Cell volume: 94.2
Cell parameters: 2.854; 2.854; 13.354; 90; 90; 120;  

COD ID: 9009886
CIF file Formula: - Cu Ga S2 -
Comments: Abrahams, S. C.; Bernstein, J. L. Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites Journal of Chemical Physics 59 (1973) 5415-5420
Space group: I -4 2 d
Cell volume: 299.51
Cell parameters: 5.34741; 5.34741; 10.47429; 90; 90; 90;  

COD ID: 9009887
CIF file Formula: - Cu In S2 -
Comments: Abrahams, S. C.; Bernstein, J. L. Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites Note: Synthetic sample Journal of Chemical Physics 59 (1973) 5415-5420
Space group: I -4 2 d
Cell volume: 339.568
Cell parameters: 5.52279; 5.52279; 11.13295; 90; 90; 90;  

COD ID: 9012427
CIF file Formula: - Ni -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: latice parameter is average of four samples Journal of Chemical Physics 3 (1935) 605-616
Space group: F m -3 m
Cell volume: 43.495
Cell parameters: 3.5168; 3.5168; 3.5168; 90; 90; 90;  

COD ID: 9012428
CIF file Formula: - Al -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics 3 (1935) 605-616
Space group: F m -3 m
Cell volume: 66.003
Cell parameters: 4.0413; 4.0413; 4.0413; 90; 90; 90;  

COD ID: 9012430
CIF file Formula: - Au -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample Journal of Chemical Physics 3 (1935) 605-616
Space group: F m -3 m
Cell volume: 67.439
Cell parameters: 4.0704; 4.0704; 4.0704; 90; 90; 90;  

COD ID: 9012431
CIF file Formula: - Ag -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample Journal of Chemical Physics 3 (1935) 605-616
Space group: F m -3 m
Cell volume: 67.808
Cell parameters: 4.0778; 4.0778; 4.0778; 90; 90; 90;  

COD ID: 9012432
CIF file Formula: - Mo -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics 3 (1935) 605-616
Space group: I m -3 m
Cell volume: 30.989
Cell parameters: 3.141; 3.141; 3.141; 90; 90; 90;  

COD ID: 9012433
CIF file Formula: - W -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: sample 1 Journal of Chemical Physics 3 (1935) 605-616
Space group: I m -3 m
Cell volume: 31.504
Cell parameters: 3.1583; 3.1583; 3.1583; 90; 90; 90;  

COD ID: 9012434
CIF file Formula: - Mg -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of four samples Journal of Chemical Physics 3 (1935) 605-616
Space group: P 63/m m c
Cell volume: 46.202
Cell parameters: 3.203; 3.203; 5.2002; 90; 90; 120;  

COD ID: 9012435
CIF file Formula: - Zn -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples Journal of Chemical Physics 3 (1935) 605-616
Space group: P 63/m m c
Cell volume: 30.237
Cell parameters: 2.6594; 2.6594; 4.9368; 90; 90; 120;  

COD ID: 9012436
CIF file Formula: - Cd -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics 3 (1935) 605-616
Space group: P 63/m m c
Cell volume: 42.921
Cell parameters: 2.9731; 2.9731; 5.6069; 90; 90; 120;  

COD ID: 9012437
CIF file Formula: - Bi -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples Journal of Chemical Physics 3 (1935) 605-616
Space group: P 63/m m c
Cell volume: 211.052
Cell parameters: 4.5372; 4.5372; 11.8381; 90; 90; 120;  

COD ID: 9012438
CIF file Formula: - Cu Fe2 O4 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 586.376
Cell parameters: 8.37; 8.37; 8.37; 90; 90; 90;  

COD ID: 9012439
CIF file Formula: - Cr2 Mg O4 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 574.271
Cell parameters: 8.312; 8.312; 8.312; 90; 90; 90;  

COD ID: 9012440
CIF file Formula: - Cd Cr2 O4 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 628.762
Cell parameters: 8.567; 8.567; 8.567; 90; 90; 90;  

COD ID: 9012441
CIF file Formula: - Fe2 O4 Zn -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 596.097
Cell parameters: 8.416; 8.416; 8.416; 90; 90; 90;  

COD ID: 9012442
CIF file Formula: - Cu0.5 Fe2 O4 Zn0.5 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 590.167
Cell parameters: 8.388; 8.388; 8.388; 90; 90; 90;  

COD ID: 9012443
CIF file Formula: - Cu0.4 Fe2 O4 Zn0.6 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 593.127
Cell parameters: 8.402; 8.402; 8.402; 90; 90; 90;  

COD ID: 9012444
CIF file Formula: - O4 Ti Zn2 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 602.281
Cell parameters: 8.445; 8.445; 8.445; 90; 90; 90;  

COD ID: 9012445
CIF file Formula: - Cr2 Ni O4 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 571.58
Cell parameters: 8.299; 8.299; 8.299; 90; 90; 90;  

COD ID: 9012446
CIF file Formula: - Al Fe2 O4 -
Comments: Verwey, E. J. W.; Heilmann, E. L. Physical properties and cation arrangement of oxides with spinel structures Journal of Chemical Physics 15 (1947) 174-180
Space group: F d -3 m :1
Cell volume: 566.225
Cell parameters: 8.273; 8.273; 8.273; 90; 90; 90;  

COD ID: 9012447
CIF file Formula: - Li -
Comments: Covington, E. J.; Montgomery, D. J. Sample: at T = 20 C Note: Li6 isotope Journal of Chemical Physics 27 (1957) 1030-1032
Space group: I m -3 m
Cell volume: 43.269
Cell parameters: 3.5107; 3.5107; 3.5107; 90; 90; 90;  

COD ID: 9012448
CIF file Formula: - Li -
Comments: Covington, E. J.; Montgomery, D. J. Sample: at T = 20 C Note: Li7 isotope Journal of Chemical Physics 27 (1957) 1030-1032
Space group: I m -3 m
Cell volume: 43.214
Cell parameters: 3.5092; 3.5092; 3.5092; 90; 90; 90;  

COD ID: 9012449
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 230.538
Cell parameters: 6.1317; 6.1317; 6.1317; 90; 90; 90;  

COD ID: 9012450
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 5 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 230.549
Cell parameters: 6.1318; 6.1318; 6.1318; 90; 90; 90;  

COD ID: 9012451
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 10 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 230.628
Cell parameters: 6.1325; 6.1325; 6.1325; 90; 90; 90;  

COD ID: 9012452
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 15 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 230.798
Cell parameters: 6.134; 6.134; 6.134; 90; 90; 90;  

COD ID: 9012453
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 20 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 231.069
Cell parameters: 6.1364; 6.1364; 6.1364; 90; 90; 90;  

COD ID: 9012454
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 25 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 231.442
Cell parameters: 6.1397; 6.1397; 6.1397; 90; 90; 90;  

COD ID: 9012455
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 30 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 230.899
Cell parameters: 6.1349; 6.1349; 6.1349; 90; 90; 90;  

COD ID: 9012456
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 35 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 232.472
Cell parameters: 6.1488; 6.1488; 6.1488; 90; 90; 90;  

COD ID: 9012457
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 40 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 233.085
Cell parameters: 6.1542; 6.1542; 6.1542; 90; 90; 90;  

COD ID: 9012458
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 45 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 233.734
Cell parameters: 6.1599; 6.1599; 6.1599; 90; 90; 90;  

COD ID: 9012459
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 50 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 234.429
Cell parameters: 6.166; 6.166; 6.166; 90; 90; 90;  

COD ID: 9012460
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 55 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 235.194
Cell parameters: 6.1727; 6.1727; 6.1727; 90; 90; 90;  

COD ID: 9012461
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 60 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 235.983
Cell parameters: 6.1796; 6.1796; 6.1796; 90; 90; 90;  

COD ID: 9012462
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 65 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 236.82
Cell parameters: 6.1869; 6.1869; 6.1869; 90; 90; 90;  

COD ID: 9012463
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 70 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 237.694
Cell parameters: 6.1945; 6.1945; 6.1945; 90; 90; 90;  

COD ID: 9012464
CIF file Formula: - Xe -
Comments: Sears, D. R.; Klug, H. P. Density and expansivity of solid xenon Sample: at T = 75 K Journal of Chemical Physics 37 (1962) 3002-3006
Space group: F m -3 m
Cell volume: 238.593
Cell parameters: 6.2023; 6.2023; 6.2023; 90; 90; 90;  

COD ID: 9012465
CIF file Formula: - F -
Comments: Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Locality: synthetic Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics 41 (1964) 760-764
Space group: P m -3 n
Cell volume: 296.741
Cell parameters: 6.67; 6.67; 6.67; 90; 90; 90;  

COD ID: 9012466
CIF file Formula: - Cl2 Fe H4 O2 -
Comments: Morosin, B.; Graeber, E. J. Crystal structures of manganese(II) and iron(II) chloride dihydrate Journal of Chemical Physics 42 (1965) 898-901
Space group: C 1 2/m 1
Cell volume: 226.334
Cell parameters: 7.355; 8.548; 3.637; 90; 98.18; 90;  

COD ID: 9012467
CIF file Formula: - Cl2 H4 Mn O2 -
Comments: Morosin, B.; Graeber, E. J. Crystal structures of manganese(II) and iron(II) chloride dihydrate Journal of Chemical Physics 42 (1965) 898-901
Space group: C 1 2/m 1
Cell volume: 237.9
Cell parameters: 7.409; 8.8; 3.691; 90; 98.67; 90;  

COD ID: 9012468
CIF file Formula: - C6.2 H46 O26 -
Comments: McMullan, R. K.; Jeffery, G. A. Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate Sample: T = -25 C, 6.4C2H4O*46H2O Journal of Chemical Physics 42 (1965) 2725-2732
Space group: P m -3 n
Cell volume: 1740.99
Cell parameters: 12.03; 12.03; 12.03; 90; 90; 90;  

COD ID: 9012469
CIF file Formula: - F6 N2 Si -
Comments: Schlemper, E. O.; Hamilton, W. C. On the structure of trigonal ammonium fluorosilicate Journal of Chemical Physics 45 (1966) 408-409
Space group: P -3 m 1
Cell volume: 138.953
Cell parameters: 5.784; 5.784; 4.796; 90; 90; 120;  

COD ID: 9012470
CIF file Formula: - C -
Comments: Bundy, F. P.; Kasper, J. S. Hexagonal diamond-a new form of carbon Journal of Chemical Physics 46 (1967) 3437-3446
Space group: P 63/m m c
Cell volume: 22.658
Cell parameters: 2.52; 2.52; 4.12; 90; 90; 120;  

COD ID: 9012471
CIF file Formula: - F2 -
Comments: Meyer, L.; Barrett, C. S.; Greer, S. C. Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K Journal of Chemical Physics 49 (1968) 1902-1907
Space group: C 1 2/m 1
Cell volume: 128.445
Cell parameters: 5.5; 3.28; 10.01; 90; 134.66; 90;  

COD ID: 9012472
CIF file Formula: - Cl2 H12 Ni O6 -
Comments: Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, X-ray data Journal of Chemical Physics 50 (1969) 4690-4696
Space group: C 1 2/m 1
Cell volume: 401.091
Cell parameters: 10.23; 7.05; 6.57; 90; 122.17; 90;  

COD ID: 9012473
CIF file Formula: - Cl2 H12 Ni O6 -
Comments: Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, neutron data Journal of Chemical Physics 50 (1969) 4690-4696
Space group: C 1 2/m 1
Cell volume: 401.259
Cell parameters: 10.24; 7.04; 6.58; 90; 122.23; 90;  

COD ID: 9012474
CIF file Formula: - Cl2 H12 Ni O6 -
Comments: Kleinberg, R. Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = 4.2 K, neutron data Journal of Chemical Physics 50 (1969) 4690-4696
Space group: C 1 2/m 1
Cell volume: 394.082
Cell parameters: 10.2; 7.05; 6.5; 90; 122.53; 90;  

COD ID: 9012475
CIF file Formula: - N2 -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20.5 K and P = .4068 GPa Note: gamma phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 42/m n m
Cell volume: 79.996
Cell parameters: 3.957; 3.957; 5.109; 90; 90; 90;  

COD ID: 9012476
CIF file Formula: - N2 -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 63/m m c
Cell volume: 93.81
Cell parameters: 4.05; 4.05; 6.604; 90; 90; 120;  

COD ID: 9012477
CIF file Formula: - N2 -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 63/m m c
Cell volume: 88.532
Cell parameters: 3.967; 3.967; 6.496; 90; 90; 120;  

COD ID: 9012478
CIF file Formula: - N2 -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 63/m m c
Cell volume: 84.756
Cell parameters: 3.924; 3.924; 6.356; 90; 90; 120;  

COD ID: 9012479
CIF file Formula: - N2 -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 63/m m c
Cell volume: 80.882
Cell parameters: 3.861; 3.861; 6.265; 90; 90; 120;  

COD ID: 9012480
CIF file Formula: - N -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 21 3
Cell volume: 180.266
Cell parameters: 5.649; 5.649; 5.649; 90; 90; 90;  

COD ID: 9012481
CIF file Formula: - N -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 21 3
Cell volume: 165.922
Cell parameters: 5.495; 5.495; 5.495; 90; 90; 90;  

COD ID: 9012482
CIF file Formula: - N -
Comments: Schuch, A. F.; Mills, R. L. Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase Journal of Chemical Physics 52 (1970) 6000-6008
Space group: P 21 3
Cell volume: 160.369
Cell parameters: 5.433; 5.433; 5.433; 90; 90; 90;  

COD ID: 9012483
CIF file Formula: - Ga -
Comments: Bosio, L. Crystal structures of Ga(II) and Ga(III) Sample: at P = 2.8 GPa, T = 298 K Note: structure known as Ga(III) phase Journal of Chemical Physics 68 (1978) 1221-1223
Space group: I 4/m m m
Cell volume: 35.229
Cell parameters: 2.813; 2.813; 4.452; 90; 90; 90;  

COD ID: 9012484
CIF file Formula: - Ga -
Comments: Bosio, L. Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase Journal of Chemical Physics 68 (1978) 1221-1223
Space group: I -4 3 d
Cell volume: 210.751
Cell parameters: 5.951; 5.951; 5.951; 90; 90; 90;  

COD ID: 9012486
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 151.779
Cell parameters: 3.3133; 10.473; 4.374; 90; 90; 90;  

COD ID: 9012487
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 149.955
Cell parameters: 3.3121; 10.408; 4.35; 90; 90; 90;  

COD ID: 9012488
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 148.72
Cell parameters: 3.3105; 10.363; 4.335; 90; 90; 90;  

COD ID: 9012489
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 147.491
Cell parameters: 3.3109; 10.319; 4.317; 90; 90; 90;  

COD ID: 9012490
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 145.412
Cell parameters: 3.3109; 10.209; 4.302; 90; 90; 90;  

COD ID: 9012491
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 145.727
Cell parameters: 3.3116; 10.26; 4.289; 90; 90; 90;  

COD ID: 9012492
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 144.962
Cell parameters: 3.3114; 10.233; 4.278; 90; 90; 90;  

COD ID: 9012493
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 144.288
Cell parameters: 3.3111; 10.215; 4.266; 90; 90; 90;  

COD ID: 9012494
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 143.529
Cell parameters: 3.3114; 10.189; 4.254; 90; 90; 90;  

COD ID: 9012495
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 142.736
Cell parameters: 3.3117; 10.158; 4.243; 90; 90; 90;  

COD ID: 9012496
CIF file Formula: - P -
Comments: Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G. Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume Journal of Chemical Physics 71 (1979) 1718-1721
Space group: C m c e
Cell volume: 142.025
Cell parameters: 3.312; 10.14; 4.229; 90; 90; 90;  

COD ID: 9013463
CIF file Formula: - Fe -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: lattice parameter is average of four samples Journal of Chemical Physics 3 (1935) 605-616
Space group: I m -3 m
Cell volume: 23.403
Cell parameters: 2.8604; 2.8604; 2.8604; 90; 90; 90;  

COD ID: 9013464
CIF file Formula: - Sb -
Comments: Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: sample 1 Journal of Chemical Physics 3 (1935) 605-616
Space group: P 63/m m c
Cell volume: 180.126
Cell parameters: 4.2995; 4.2995; 11.2515; 90; 90; 120;  

COD ID: 9014102
CIF file Formula: - Cr2 Fe S4 -
Comments: Lo Presti, L.; Destro, R. Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K Journal of Chemical Physics 128 (2008) 044710-044719
Space group: F d -3 m :2
Cell volume: 992.907
Cell parameters: 9.9763; 9.9763; 9.9763; 90; 90; 90;  

COD ID: 9014453
CIF file Formula: - C4 H46 O23 -
Comments: Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S. The structure of deuterated methane-hydrate Note: T = 2 K Journal of Chemical Physics 113 (2000) 4713-4721
Space group: P m -3 n
Cell volume: 1651.82
Cell parameters: 11.821; 11.821; 11.821; 90; 90; 90;  

COD ID: 9014986
CIF file Formula: - H2 O -
Comments: Engelhardt, H.; Kamb, B. Structure of ice IV, a metastable high-pressure phase Note: T = 110 K, synthesized at 4-5.5 kb Journal of Chemical Physics 75 (1981) 5887-5899
Space group: R -3 c :R
Cell volume: 375.394
Cell parameters: 7.6; 7.6; 7.6; 70.1; 70.1; 70.1;  

COD ID: 9015208
CIF file Formula: - H2 O -
Comments: Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I. No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH Journal of Chemical Physics 120 (2004) 11376-11379
Space group: P 63/m m c
Cell volume: 128.269
Cell parameters: 4.497479; 4.497479; 7.322382; 90; 90; 120;  

COD ID: 9015938
CIF file Formula: - Ce H2 O5 P -
Comments: Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Journal of Chemical Physics 16 (1948) 1003-1003
Space group: P 31 2 1
Cell volume: 277.551
Cell parameters: 7.055; 7.055; 6.439; 90; 90; 120;  

COD ID: 9016405
CIF file Formula: - Ce O4 P -
Comments: 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 16 (1948) 1003-1003
Space group: P 1 21/n 1
Cell volume: 296.159
Cell parameters: 6.76; 7; 6.44; 90; 103.63; 90;  

COD ID: 9017496
CIF file Formula: - F -
Comments: Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics 41 (1964) 760-764
Space group: P m -3 n
Cell volume: 296.741
Cell parameters: 6.67; 6.67; 6.67; 90; 90; 90;  

COD ID: 9017497
CIF file Formula: - C2 Cl3 Cu N -
Comments: Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics 44 (1966) 39-42
Space group: I 1 2/a 1
Cell volume: 1498.91
Cell parameters: 12.09; 8.63; 14.49; 90; 97.5; 90;  

COD ID: 9017498
CIF file Formula: - O -
Comments: Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M. On the structure of high-pressure high-temperature eta-O2 Journal of Chemical Physics 130 (2009) -164516
Space group: P 63/m m c
Cell volume: 37.346
Cell parameters: 2.561; 2.561; 6.575; 90; 90; 120;  


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