Crystallography Open Database
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Searching journal of publication like 'Journal of Chemical Physics'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000045 | CIF | Ca H2 O2 | P -3 m 1 | 3.5862; 3.5862; 4.8801 90; 90; 120 | 54.4 | Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics, 1957, 26, 563-568 |
| 1001462 | CIF | Al11 Gd0.46 La0.43 Mg0.635 O18.46 | P 63/m m c | 5.565; 5.565; 21.89 90; 90; 120 | 587.1 | 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, 1990, 93, 7076-7084 |
| 1008189 | CIF | H2 O2 | P 41 21 2 | 4.06; 4.06; 8 90; 90; 90 | 131.9 | Busing, William R.; Levy, Henri A. Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study Journal of Chemical Physics, 1965, 42, 3054-3059 |
| 1008190 | CIF | H2 Li2 O5 S | P 1 21 1 | 5.4537; 4.857; 8.1734 90; 107.367; 90 | 206.6 | Smith, H G; Peterson, S W; Levy, H A Neutron-diffraction study of lithium sulfate monohydrate Journal of Chemical Physics, 1968, 48, 5561-5565 |
| 1008760 | CIF | Cl2 Cu H4 O2 | P b m n | 7.395; 8.056; 3.728 90; 90; 90 | 222.1 | Peterson, S W; Levy, H A Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction Journal of Chemical Physics, 1957, 26, 220-221 |
| 1008781 | CIF | Ca H2 O2 | P -3 m 1 | 3.5918; 3.5918; 4.9063 90; 90; 120 | 54.8 | Busing, W R; Levy, H A Neutron diffraction study of calcium hydroxide Journal of Chemical Physics, 1957, 26, 563-568 |
| 1009029 | CIF | F2 H K | I 4/m c m | 5.67; 5.67; 6.81 90; 90; 90 | 218.9 | Peterson, S W; Levy, H A A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride Journal of Chemical Physics, 1952, 20, 704-707 |
| 1010304 | CIF | H6 N O2 P | A b m m | 3.98; 7.57; 11.47 90; 90; 90 | 345.6 | 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, 1934, 2, 34-37 |
| 1010322 | CIF | Ag0.5 Au0.5 Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | 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, 1934, 2, 419-421 |
| 1010323 | CIF | Au Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | 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, 1934, 2, 419-421 |
| 1010324 | CIF | Ag3 O4 P | P -4 3 n | 5.995; 5.995; 5.995 90; 90; 90 | 215.5 | Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics, 1936, 4, 316-322 |
| 1010325 | CIF | P | B m a b | 3.31; 4.38; 10.5 90; 90; 90 | 152.2 | 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, 1935, 3, 351-355 |
| 1010517 | CIF | Cl6 H4 K3 O2 Tl | I 4/m m m | 15.841; 15.841; 18.005 90; 90; 90 | 4518.1 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010518 | CIF | Br6 H2.286 O1.143 Rb3 Tl | I 4/m m m | 16.95; 16.95; 19.45 90; 90; 90 | 5588 | Hoard, J L; Goldstein, L The Structure of Potassium Hexachlorothalliate Dihydrate Journal of Chemical Physics, 1935, 3, 645-649 |
| 1010519 | CIF | Po | C 1 2 1 | 7.42; 4.29; 14.1 90; 92; 90 | 448.6 | Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics, 1936, 4, 648-652 |
| 1010520 | CIF | Ge S2 | F d d 2 | 11.66; 22.34; 6.86 90; 90; 90 | 1786.9 | Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics, 1936, 4, 618-619 |
| 1010521 | CIF | B3 K3 O6 | R -3 c :R | 7.76; 7.76; 7.76 110.6; 110.6; 110.6 | 343.9 | Zachariasen, W H The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~) Journal of Chemical Physics, 1937, 5, 919-922 |
| 1010522 | CIF | Na2 O4 S | P b n n | 5.59; 8.93; 6.98 90; 90; 90 | 348.4 | Frevel, L K The Crystal Structure of Sodium Sulfate III Journal of Chemical Physics, 1940, 8, 290-290 |
| 1010844 | CIF | As2 Cl9 Cs3 | 7.37; 7.37; 8.91 90; 90; 120 | 419.1 | Hoard, J L; Goldstein, L The structure of Caesium Enneachlordiarsenite Journal of Chemical Physics, 1935, 3, 117-122 | |
| 1010845 | CIF | K2 O4 | I 4/m m m | 5.7; 5.7; 6.72 90; 90; 90 | 218.3 | Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics, 1936, 4, 458-458 |
| 1010847 | CIF | H16 O12 S Sm | C 1 2/c 1 | 20.3; 6.76; 13.53 90; 118.3; 90 | 1634.8 | Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics, 1935, 3, 197-198 |
| 1010848 | CIF | O6 S3 Tl2 | C 1 2/c 1 | 13.2; 7.45; 7.58 90; 91; 90 | 745.3 | Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics, 1936, 4, 621-621 |
| 1010869 | CIF | Cl9 Cs3 Tl2 | R -3 c RS | 9.58; 9.58; 9.58 83.8; 83.8; 83.8 | 864.8 | Hoard, J L; Goldstein, L The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~ Journal of Chemical Physics, 1935, 3, 199-202 |
| 1011016 | CIF | C H Na O3 | P 1 21/n 1 | 7.51; 9.7; 3.53 90; 93.32; 90 | 256.7 | Zachariasen, W. H. The Crystal Lattice of Sodium Bicarbonate, Na H C O3 Journal of Chemical Physics, 1933, 1, 634-639 |
| 1011023 | CIF | H2 O | P 63 c m | 7.82; 7.82; 7.36 90; 90; 120 | 389.8 | 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, 1933, 1, 515-548 |
| 1011024 | CIF | H2 O | I b a m (a,b,c+1/4) | 10.2; 5.87; 7.17 90; 90; 90 | 429.3 | McFarlan, R L The Structure of Ice III Journal of Chemical Physics, 1936, 4, 253-259 |
| 1011025 | CIF | Ag I | P 63 m c S | 4.59; 4.59; 7.52 90; 90; 120 | 137.2 | Helmholz, L The Crystal Structure of Hexagonal Silver Iodide Journal of Chemical Physics, 1935, 3, 740-747 |
| 1011026 | CIF | Fe H O2 | A m a m | 3.87; 12.51; 3.06 90; 90; 90 | 148.1 | Ewing, F J The Crystal Structure of Lepidocrocite Journal of Chemical Physics, 1935, 3, 420-424 |
| 1011027 | CIF | Al H O2 | P b n m | 4.4; 9.39; 2.84 90; 90; 90 | 117.3 | Ewing, F J The Crystal Structure of Diaspore Journal of Chemical Physics, 1935, 3, 203-207 |
| 1011115 | CIF | C2 H10 N2 O5 | P 21 21 2 | 8.04; 10.27; 3.82 90; 90; 90 | 315.4 | 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, 1936, 4, 102-107 |
| 1011160 | CIF | S8 | F d d d :1 | 10.48; 12.92; 24.54999 90; 90; 90 | 3324.1 | Warren, B E; Burwell, J T The structure of rhombic sulphur Journal of Chemical Physics, 1935, 3, 6-8 |
| 1011161 | CIF | Ag3 As S3 | R 3 c :H | 10.74; 10.74; 8.64 90; 90; 120 | 863.1 | 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, 1936, 4, 381-390 |
| 1011162 | CIF | Ag3 S3 Sb | R 3 c :H | 11.04; 11.04; 8.71 90; 90; 120 | 919.4 | 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, 1936, 4, 381-390 |
| 1011163 | CIF | Fe0.911 O | F m -3 m | 4.2816; 4.2816; 4.2816 90; 90; 90 | 78.5 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011164 | CIF | Fe0.918 O | F m -3 m | 4.2847; 4.2847; 4.2847 90; 90; 90 | 78.7 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011165 | CIF | Fe0.929 O | F m -3 m | 4.2909; 4.2909; 4.2909 90; 90; 90 | 79 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011166 | CIF | Fe0.932 O | F m -3 m | 4.2909; 4.2909; 4.2909 90; 90; 90 | 79 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011167 | CIF | Fe0.944 O | F m -3 m | 4.2997; 4.2997; 4.2997 90; 90; 90 | 79.5 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011168 | CIF | Fe0.944 O | F m -3 m | 4.301; 4.301; 4.301 90; 90; 90 | 79.6 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1011169 | CIF | Fe O | F m -3 m | 4.332; 4.332; 4.332 90; 90; 90 | 81.3 | Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics, 1933, 1, 29-36 |
| 1509138 | CIF | Po | P m -3 m | 3.345; 3.345; 3.345 90; 90; 90 | 37.427 | William H. Beamer; Charles R. Maxwell Physical Properties of Polonium. II. X-Ray Studies and Crystal Structure Journal of Chemical Physics, 1949, 17, 1293-1298 |
| 1509296 | CIF | Ag Dy | P m -3 m | 3.607; 3.607; 3.607 90; 90; 90 | 46.929 | Arnold, G.; Olsen, C.; Nereson, N. Magnetic structure of DyAg Journal of Chemical Physics, 1967, 46, 4041-4043 |
| 1509387 | CIF | Ag I | P 4/n :1 | 4.58; 4.58; 6 90; 90; 90 | 125.858 | Kasper, J.S.; Moore, M.J. Crystal Structure of Ag I at 3 kbar Journal of Chemical Physics, 1968, 48, 2446-2450 |
| 1509725 | CIF | Ag2 Tm | I 4/m m m | 3.652; 3.652; 9.14 90; 90; 90 | 121.901 | Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics, 1970, 52, 6433-6434 |
| 1509788 | CIF | Ag2 Dy | I 4/m m m | 3.683; 3.683; 9.188 90; 90; 90 | 124.631 | Atoji, M. Magnetic strutures of Dy Au2 and Dy Ag2 Journal of Chemical Physics, 1969, 51, 3877-3882 |
| 1509791 | CIF | Ag2 Er | I 4/m m m | 3.668; 3.668; 9.159 90; 90; 90 | 123.227 | Atoji, M. Magnetic structure of Er Ag2 Journal of Chemical Physics, 1972, 57, 851-855 |
| 1509819 | CIF | Ag2 Ho | I 4/m m m | 3.669; 3.669; 9.156 90; 90; 90 | 123.254 | Atoji, M. Magnetic structure of Ho Ag2 Journal of Chemical Physics, 1969, 51, 3882-3885 |
| 1510389 | CIF | Au2 Dy | I 4/m m m | 3.682; 3.682; 8.942 90; 90; 90 | 121.228 | Atoji, M. Magnetic structures of Dy Au2 and Dy Ag2 metals with gold and silver Journal of Chemical Physics, 1969, 51, 3877-3882 |
| 1510393 | CIF | Au2 Er | I 4/m m m | 3.662; 3.662; 8.92 90; 90; 90 | 119.619 | Atoji, M. Magnetic structure of Er Au2 Journal of Chemical Physics, 1972, 57, 2407-2409 |
| 1510419 | CIF | Au2 Ho | I 4/m m m | 3.677; 3.677; 8.94 90; 90; 90 | 120.872 | Atoji, M. Magnetic structure of Ho Au2 Journal of Chemical Physics, 1972, 57, 2402-2406 |
| 1510469 | CIF | Au2 Tb | I 4/m m m | 3.707; 3.707; 8.987 90; 90; 90 | 123.498 | Atoji, M. Magnetic structures of Tb Au2 Journal of Chemical Physics, 1968, 48, 560-564 |
| 1510472 | CIF | Au2 Tm | I 4/m m m | 3.644; 3.644; 8.896 90; 90; 90 | 118.128 | Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics, 1970, 52, 6433-6434 |
| 1510477 | CIF | Au2 Yb | I 4/m m m | 3.633; 3.633; 8.8826 90; 90; 90 | 117.239 | Atoji, M. Neutron diffraction studies of Tm Au2, Yb Au2, and Tm Ag2 at 300-1.7 K Journal of Chemical Physics, 1970, 52, 6433-6434 |
| 1510681 | CIF | B2 F4 | P 1 21/n 1 | 5.486; 6.53; 4.826 90; 102.5; 90 | 168.787 | Trefonas, L.; Lipscomb, W.N. Crystal and molecular structure of diboron tetrafluoride, B2 F4 Journal of Chemical Physics, 1958, 28, 54-55 |
| 1510736 | CIF | B2 K3 O12 Ta3 | P -6 2 m | 8.78158; 8.78158; 3.89902 90; 90; 120 | 260.394 | 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, 1981, 75, 5456-5460 |
| 1510986 | CIF | B2 Cl4 | P b c a | 11.9; 6.281; 7.69 90; 90; 90 | 574.781 | Atoji, M.; Wheatley, P.J.; Lipscomb, W.N. Molecular Structure of Diborane Tetrachloride, B2 Cl4 Journal of Chemical Physics, 1955, 23, 1176-1176 |
| 1511048 | CIF | B Cl3 | P 63/m | 6.08; 6.08; 6.55 90; 90; 120 | 209.691 | Lipscomb, W.N.; Atoji, M. B-Cl Distance in Boron Trichloride Journal of Chemical Physics, 1957, 27, 195-195 |
| 1511482 | CIF | B4 Mn O7 | P b c a | 8.62354; 14.0071; 8.07237 90; 90; 90 | 975.068 | Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C. Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence Journal of Chemical Physics, 1974, 60, 1899-1905 |
| 1511655 | CIF | B7 Br Ni3 O13 | P c a 21 | 8.5218; 8.5127; 12.0408 90; 90; 90 | 873.482 | 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, 1981, 75, 1912-1918 |
| 1523290 | CIF | Pb0.64 Sb0.36 | I m -3 m | 3.892; 3.892; 3.892 90; 90; 90 | 58.955 | Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J. Metastable phases in the Pb-Sb and Pb-Bi systems Journal of Chemical Physics, 1968, 48, 1905-1911 |
| 1523448 | CIF | Ho Zn2 | I m m a | 4.47; 7.048; 7.611 90; 90; 90 | 239.781 | Debray, D.; Sougi, M. Magnetic structure of Ho Zn2 Journal of Chemical Physics, 1972, 57, 2156-2159 |
| 1523449 | CIF | Nd Zn2 | I m m a | 4.597; 7.408; 7.555 90; 90; 90 | 257.282 | Debray, D.; Sougi, M. Magnetic structure of NdZn2 Journal of Chemical Physics, 1973, 58, 1783-1786 |
| 1523903 | CIF | Mg0.1 Mn0.9 Se | F -4 3 m | 5.4634; 5.4634; 5.4634 90; 90; 90 | 163.076 | Jacobson, A.J.; Fender, B.E.F. Covalency parameters in Mn Se and Mn Se2 Journal of Chemical Physics, 1970, 52, 4563-4566 |
| 1523950 | CIF | H4 I2 Ni O8 | P b c a | 9.14986; 12.209; 6.58353 90; 90; 90 | 735.45 | 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, 1973, 59, 2007-2018 |
| 1524075 | CIF | Ba3.5 Ga15.9912 Si30.0088 | P m -3 n | 10.5397; 10.5397; 10.5397 90; 90; 90 | 1170.81 | 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, 2001, 114, 10063-10074 |
| 1524142 | CIF | Cd La | P m -3 m | 3.91; 3.91; 3.91 90; 90; 90 | 59.776 | Buschow, K.H.J. Magnetic properties of Cs Cl-type rare-earth cadmium compounds Journal of Chemical Physics, 1974, 61, 4666-4670 |
| 1524249 | CIF | Ce Zn2 | I m m a | 4.639; 7.552; 7.51 90; 90; 90 | 263.103 | Debray, D.; Sougi, M.; Meriel, P. Magnetic structures of Ce Zn2 and Tb Zn2 Journal of Chemical Physics, 1972, 56, 4325-4328 |
| 1524914 | CIF | Cl3 Cr Cs | P 63 m c | 7.256; 7.256; 6.224 90; 90; 120 | 283.788 | 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, 1972, 57, 3771-3780 |
| 1525072 | CIF | F2 O2 Xe | C m c m | 6.443; 6.288; 8.312 90; 90; 90 | 336.749 | Peterson, S.W.; Willett, R.D.; Huston, J.L. Symmetrie and structure of Xe O2 F2 by neutron diffraction Journal of Chemical Physics, 1973, 59, 453-459 |
| 1525686 | CIF | Ba8 Ga16 Ge30 | P m -3 n | 10.793; 10.793; 10.793 90; 90; 90 | 1257.26 | 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, 2001, 114, 10063-10074 |
| 1525687 | CIF | Ga16 Ge30 Sr8 | P m -3 n | 10.7418; 10.7418; 10.7418 90; 90; 90 | 1239.46 | 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, 2001, 114, 10063-10074 |
| 1525699 | CIF | Al Cs2 F6 Na | R -3 m :H | 6.1811; 6.1811; 29.845 90; 90; 120 | 987.492 | 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, 2001, 115, 4300-4305 |
| 1527061 | CIF | Mn Mo O4 | C 1 2/m 1 | 10.469; 9.516; 7.143 90; 106.28; 90 | 683.074 | Abrahams, S.C.; Reddy, J.M. Crystal structure of the transition-metal molybdates. I. Para magnetic alpha Mn Mo O4 Journal of Chemical Physics, 1965, 43, 2533-2543 |
| 1527106 | CIF | C S2 | C m c a | 6.393; 5.582; 8.963 90; 90; 90 | 319.851 | Baenziger, N.C.; Duax, W.L. Crystal structure and molecular motion of solid carbon disulfide Journal of Chemical Physics, 1968, 48, 2974-2981 |
| 1527285 | CIF | Tb Zn2 | I m m a | 4.481; 7.122; 7.576 90; 90; 90 | 241.778 | Debray, D.; Meriel, P.; Sougi, M. Magnetic structures of Ce Zn2 and Tb Zn2 Journal of Chemical Physics, 1972, 56, 4325-4328 |
| 1527299 | CIF | B20 H16 | I 41/a c d :2 | 9.65; 9.65; 29.64 90; 90; 90 | 2760.15 | Dobrott, R.D.; Friedman, L.B.; Lipscomb, W.N. Molecular and crystal structure of B20 H16 Journal of Chemical Physics, 1964, 40, 866-872 |
| 1527603 | CIF | N2 | P 21 3 | 5.65; 5.65; 5.65 90; 90; 90 | 180.362 | 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, 1964, 41, 756-759 |
| 1528076 | CIF | B18 H22 | P 1 21/c 1 | 9.199; 13.18; 12.515 90; 109.58; 90 | 1429.61 | Simpson, P.G.; Folting, K.; Lipscomb, W.N.; Dobrott, R.D. Molecular, crystal and valence structures of iso- B18 H22 Journal of Chemical Physics, 1963, 39, 2339-2348 |
| 1528208 | CIF | Cl3 Cu K | P 1 21/c 1 | 4.029; 13.785; 8.736 90; 97.33; 90 | 481.23 | 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, 1963, 38, 2429-2436 |
| 1528209 | CIF | Cl4 Cu H8 N2 | C m c a | 15.46; 7.2; 7.2 90; 90; 90 | 801.446 | Willett, R.D. Crystal structure of (N H4)2 Cu Cl4 Journal of Chemical Physics, 1964, 41, 2243-2244 |
| 1528239 | CIF | Ce2 H48 Mg3 N12 O60 | R -3 :H | 11.004; 11.004; 34.592 90; 90; 120 | 3627.5 | Zalkin, A.; Forrester, J.D.; Templeton, D.H. Crystal structure of cerium magnesium nitrate hydrate Journal of Chemical Physics, 1963, 39, 2881-2891 |
| 1528281 | CIF | Dy Mn2 O5 | P b a m | 7.294; 8.5551; 5.6875 90; 90; 90 | 354.905 | Abrahams, S.C.; Bernstein, J.L. Crystal structure of paramagnetic Dy Mn2 O5 Journal of Chemical Physics, 1967, 46, 3776-3782 |
| 1528282 | CIF | Mo O4 Zn | P -1 | 9.625; 6.965; 8.373 103.28; 96.3; 106.72 | 513.812 | Abrahams, S.C. Crystal structure of the transition - metal molybdates and tungstates III. Diamagnetic alpha - Zn Mo O4 Journal of Chemical Physics, 1967, 46, 2052-2063 |
| 1528322 | CIF | C2 Ce | I 4/m m m | 3.875; 3.875; 6.477 90; 90; 90 | 97.256 | 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, 1967, 46, 1891-1901 |
| 1528323 | CIF | C2 Nd | I 4/m m m | 3.82; 3.82; 6.39 90; 90; 90 | 93.245 | 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, 1967, 46, 1891-1901 |
| 1528324 | CIF | C2 Tb | I 4/m m m | 3.678; 3.678; 6.206 90; 90; 90 | 83.953 | 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, 1967, 46, 1891-1901 |
| 1528325 | CIF | C2 Ho | I 4/m m m | 3.633; 3.633; 6.132 90; 90; 90 | 80.934 | 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, 1967, 46, 1891-1901 |
| 1528336 | CIF | O2 | C 1 2/m 1 | 5.403; 3.429; 5.086 90; 132.53; 90 | 69.439 | Barrett, C.S.; Meyer, L.; Wasserman, J. Antiferromagnetic and crystal structures of alpha-oxygen Journal of Chemical Physics, 1967, 47, 592-597 |
| 1528354 | CIF | F H8 K O4 | P 1 21/c 1 | 6.8; 13.29; 6.64 90; 90.7; 90 | 600.025 | Beurskens, G.; Jeffrey, G.A. Crystal structure of potassium fluoride tetrahydrate Journal of Chemical Physics, 1964, 41, 917-923 |
| 1528856 | CIF | F6 H8 N2 Si | P -3 m 1 | 5.784; 5.784; 4.796 90; 90; 120 | 138.953 | Schlemper, E.O.; Hamilton, W.C. On the structure of trigonal ammonium fluorosilicate Journal of Chemical Physics, 1966, 45, 408-410 |
| 1528861 | CIF | Be F12 Li6 Zr | I 41/a m d :2 | 6.57; 6.57; 18.62 90; 90; 90 | 803.73 | Sears, D.R.; Burns, J.H. Crystal structure of Li6 Be F4 Zr F8 Journal of Chemical Physics, 1964, 41, 3478-3483 |
| 1529515 | CIF | Cd2 K2 O12 S3 | P 21 21 21 | 10.2082; 10.2837; 10.1661 90; 90; 90 | 1067.22 | 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, 1977, 67, 2146-2150 |
| 1529516 | CIF | Cd2 K2 O12 S3 | P 21 21 21 | 10.2386; 10.2951; 10.1981 90; 90; 90 | 1074.95 | 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, 1978, 68, 1926-1935 |
| 1529517 | CIF | H6 I Na O7 | R 3 :H | 6.04272; 6.04272; 13.2317 90; 90; 120 | 418.419 | Abrahams, S.C.; Bernstein, J.L. Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure Journal of Chemical Physics, 1978, 69, 4234-4237 |
| 1529518 | CIF | H15 I10 La3 O37 | A b a 2 | 13.1801; 21.7208; 12.1551 90; 90; 90 | 3479.79 | 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, 1978, 69, 2505-2513 |
| 1529519 | CIF | Mo3 O12 Tb2 | P b a 2 | 10.3656; 10.3876; 10.6471 90; 90; 90 | 1146.41 | 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, 1980, 72, 4278-4285 |
| 1529520 | CIF | C6 Au3 Co K N6 | P 3 1 2 | 6.82802; 6.82802; 7.80807 90; 90; 120 | 315.256 | 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, 1980, 73, 4585-4590 |
| 1529521 | CIF | F10 O9 Pb5 W3 | I 4 | 14.583; 14.583; 7.365 90; 90; 90 | 1566.27 | Abrahams, S.C.; Marsh, P.; Ravez, J. Ferroelectric structure and related properties of Pb5 W3 O9 F10 Journal of Chemical Physics, 1987, 87, 6012-6020 |
| 1529595 | CIF | Al22 H3.08 Li2 O35.54 | P 63/m m c | 5.591; 5.591; 22.715 90; 90; 120 | 614.925 | 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, 1982, 77, 4838-4856 |
| 1529706 | CIF | Cl F3 | P n m a | 8.82; 6.09; 4.52 90; 90; 90 | 242.786 | Burbank, R.D.; Bensey, F. The structures of the interhalogen compounds. I. Chlorine trifluoride at -120 C Journal of Chemical Physics, 1953, 21, 602-608 |
| 1529724 | CIF | C2 H8 Cl2 Co N4 O4 | P 1 21/c 1 | 7.397; 7.795; 9.764 90; 116.23; 90 | 505.016 | 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, 1981, 75, 431-439 |
| 1530224 | CIF | D2 O | I 41/a m d :2 | 4.656; 4.656; 6.775 90; 90; 90 | 146.871 | 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, 1984, 81, 3612-3623 |
| 1530236 | CIF | N2 O4 | I m -3 | 7.6937; 7.6937; 7.6937 90; 90; 90 | 455.413 | 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, 1982, 76, 3754-3761 |
| 1530237 | CIF | Ba H2 N2 O5 | P 65 | 7.0749; 7.0749; 17.8909 90; 90; 120 | 775.539 | 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, 1982, 76, 5508-5514 |
| 1530293 | CIF | Gd I3 O9 | P 1 21/a 1 | 13.4365; 8.5226; 7.1356 90; 99.717; 90 | 805.403 | 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, 1977, 67, 1015-1023 |
| 1530294 | CIF | Cs2 O6 S2 | P 63 m c | 6.35658; 6.35658; 11.5391 90; 90; 120 | 403.784 | Liminga, R.; Abrahams, S.C.; Bernstein, J.L. Piezoelectric Cs2 S2 O6. Room temperature crystal structure Journal of Chemical Physics, 1980, 73, 1432-1438 |
| 1530380 | CIF | O3 Pu2 | P -3 m 1 | 3.8381; 3.8381; 5.918 90; 90; 120 | 75.498 | McCart, B.; Lander, G.H.; Aldred, A.T. Structural and magnetic studies of hexagonal beta-plutonium(III)-242 oxide Journal of Chemical Physics, 1981, 74, 5263-5268 |
| 1530503 | CIF | Cl5 Cs2 Fe H2 O | C m c m | 7.442; 17.307; 8.077 90; 90; 90 | 1040.31 | 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, 1979, 70, 5161-5167 |
| 1530504 | CIF | Cl5 Fe H2 O Rb2 | P n m a | 13.825; 9.918; 7.1 90; 90; 90 | 973.526 | 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, 1979, 70, 5161-5167 |
| 1530644 | CIF | H0.76 Nb S2 | P 63/m m c | 3.34; 3.34; 12.39 90; 90; 120 | 119.7 | 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, 1979, 70, 5203-5212 |
| 1530988 | CIF | K1.59 Mg0.77 O16 Ti7.23 | I 4/m | 10.138; 10.138; 2.9685 90; 90; 90 | 305.1 | 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, 1986, 85, 475-484 |
| 1530989 | CIF | K1.58 Mg0.77 O16 Ti7.23 | I 4/m | 10.167; 10.167; 2.976 90; 90; 90 | 307.623 | 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, 1986, 85, 475-484 |
| 1530990 | CIF | K1.6 Mg0.77 O16 Ti7.23 | I 4/m | 10.197; 10.197; 2.992 90; 90; 90 | 311.105 | 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, 1986, 85, 475-484 |
| 1531491 | CIF | Cs D S | I 4/m | 8.202; 8.202; 9.0245 90; 90; 90 | 607.103 | 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, 2002, 117, 4961-4972 |
| 1531495 | CIF | Cs D S | P 4/m b m | 5.8465; 5.8465; 4.5259 90; 90; 90 | 154.702 | 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, 2002, 117, 4961-4972 |
| 1531498 | CIF | Cs D S | P m -3 m | 4.3271; 4.3271; 4.3271 90; 90; 90 | 81.02 | 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, 2002, 117, 4961-4972 |
| 1531648 | CIF | Gd2 Mo3 O12 | P b a 2 | 10.3858; 10.4186; 10.7004 90; 90; 90 | 1157.84 | 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, 1971, 54, 3185-3194 |
| 1531931 | CIF | Be F2 | P 62 2 2 | 4.9; 4.9; 5.38 90; 90; 120 | 111.868 | Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics, 1972, 56, 1905-1909 |
| 1531932 | CIF | O1.76 Si0.88 | P 62 2 2 | 5; 5; 5.49 90; 90; 120 | 118.862 | Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics, 1972, 56, 1905-1909 |
| 1531970 | CIF | Cl K O3 | R 3 m :R | 4.273; 4.273; 4.273 85.2; 85.2; 85.2 | 77.241 | Pistorius, C.W.F.T. Lattice constants of the high-pressure phase K Cl O3 (II) Journal of Chemical Physics, 1972, 56, 6263-6264 |
| 1532206 | CIF | Cl2 Fe H8 O4 | P 1 21/c 1 | 5.885; 7.18; 8.514 90; 111.09; 90 | 335.656 | 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, 1972, 56, 3257-3264 |
| 1533171 | CIF | D7 N O2 | P 21 3 | 7.091771; 7.091771; 7.091771 90; 90; 90 | 356.668 | 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, 2003, 119, 10806-10813 |
| 1534137 | CIF | Bi12 Ge O20 | I 2 3 | 10.1455; 10.1455; 10.1455 90; 90; 90 | 1044.29 | Abrahams, S.C.; Bernstein, J.L.; Jamieson, P.B. Crystal Structure of Piezoelectric Bismuth Germanium Oxide Bi12 Ge O20 Journal of Chemical Physics, 1967, 47, 4034-4041 |
| 1534588 | CIF | I Li O3 | P n a 21 | 9.422; 5.861; 5.301 90; 90; 90 | 292.734 | 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, 1982, 77, 4222-4226 |
| 1535167 | CIF | D2.808 H0.192 Na O6 Se2 | P 1 21/n 1 | 10.365; 4.85; 5.792 90; 91.16; 90 | 291.106 | 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, 1982, 77, 537-547 |
| 1535170 | CIF | D2.824 H0.176 Na O6 Se2 | P 1 n 1 | 10.314; 9.663; 5.768 90; 91.23; 90 | 574.731 | 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, 1982, 77, 537-547 |
| 1537153 | CIF | D1.86 O V3 Zr3 | F d -3 m :1 | 12.3175; 12.3175; 12.3175 90; 90; 90 | 1868.82 | 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, 1983, 79, 4522-4531 |
| 1537157 | CIF | D2.85 O V3 Zr3 | F d -3 m :1 | 12.3807; 12.3807; 12.3807 90; 90; 90 | 1897.73 | 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, 1983, 79, 4522-4531 |
| 1537161 | CIF | D4.93 O V3 Zr3 | F d -3 m :1 | 12.526; 12.526; 12.526 90; 90; 90 | 1965.34 | 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, 1983, 79, 4522-4531 |
| 1537165 | CIF | O V3 Zr3 | F d -3 m :1 | 12.1703; 12.1703; 12.1703 90; 90; 90 | 1802.62 | 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, 1983, 79, 4522-4531 |
| 1537208 | CIF | Al4 Ba2 H14 O27 Si6 | P 21 21 2 | 9.537; 9.651; 6.509 90; 90; 90 | 599.099 | Kvick, A.; Smith, J.V. A neutron diffraction study of the zeolite edingtonite Journal of Chemical Physics, 1983, 79, 2356-2362 |
| 1537511 | CIF | Ba Co F4 | A 21 a m | 5.8519; 14.628; 4.2102 90; 90; 90 | 360.4 | Keve, E.T.; Abrahams, S.C.; Bernstein, J.L. Ferroelectric Paraelastic Paramagnetic Barium Cobalt Fluoride, Ba Co F4, Crystal Structure Journal of Chemical Physics, 1970, 53, 3279-3287 |
| 1537605 | CIF | C4 Au2 Co N4 | P 64 2 2 | 8.434; 8.434; 20.695 90; 90; 120 | 1274.86 | 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, 1982, 76, 5458-5462 |
| 1537669 | CIF | D2 O | F d -3 m :1 | 6.353; 6.353; 6.353 90; 90; 90 | 256.411 | 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, 1968, 49, 4365-4369 |
| 1537759 | CIF | Po | R -3 m :H | 5.079; 5.079; 4.916 90; 90; 120 | 109.824 | Beamer, W.H.; Maxwell, C.R. Physical properties of polonium. II. X-Ray studies and crystal structure Journal of Chemical Physics, 1949, 17, 1293-1298 |
| 1537866 | CIF | Pb3.33 Sb0.7 | F m -3 m | 4.907; 4.907; 4.907 90; 90; 90 | 118.154 | Borromee-Gautier, C.; Giessen, B.C.; Grant, N.J. Metastable phases in the Pb-Sb and Pb-Bi systems Journal of Chemical Physics, 1968, 48, 1905-1911 |
| 1537965 | CIF | In3 Pr | P m -3 m | 4.6707; 4.6707; 4.6707 90; 90; 90 | 101.893 | 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, 1969, 50, 137-141 |
| 1537967 | CIF | In3 Yb | P m -3 m | 4.611; 4.611; 4.611 90; 90; 90 | 98.036 | 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, 1969, 50, 137-141 |
| 1538030 | CIF | O4 Pt3 | I m -3 | 6.238; 6.238; 6.238 90; 90; 90 | 242.737 | Galloni, E.E.; Roffo, A.E.jr. The crystalline structure of Pt3 O4 Journal of Chemical Physics, 1941, 9, 875-877 |
| 1538173 | CIF | H2 O | P 63/m m c | 4.506; 4.506; 7.346 90; 90; 120 | 129.171 | Goto, A.; Hondoh, T.; Mae, S. The electron density distribution in ice Ih determined by single-crystal X-ray diffractometry Journal of Chemical Physics, 1990, 93, 1412-1417 |
| 1538299 | CIF | P | C m c a | 3.316; 10.52; 4.389 90; 90; 90 | 153.107 | 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, 1935, 3, 351-351 |
| 1538347 | CIF | Ga2 O3 | R -3 c :H | 4.9825; 4.9825; 13.433 90; 90; 120 | 288.801 | 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, 1967, 46, 1862-1865 |
| 1538564 | CIF | Mg0.4 Mn3.6 Se4 | F m -3 m | 5.4634; 5.4634; 5.4634 90; 90; 90 | 163.076 | Jacobson, A.J.; Fender, B.E.F. Covalency parameters in Mn Se and Mn Se2 Journal of Chemical Physics, 1970, 52, 4563-4566 |
| 1538597 | CIF | D2 O | P 63/m m c | 4.504; 4.504; 7.3337 90; 90; 120 | 128.84 | 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, 1985, 82, 424-428 |
| 1538611 | CIF | D2 O | P n -3 m :2 | 3.3501; 3.3501; 3.3501 90; 90; 90 | 37.599 | Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics, 1985, 83, 329-333 |
| 1539159 | CIF | H2 Y | F m -3 m | 5.245; 5.245; 5.245 90; 90; 90 | 144.29 | Uhrich, D.L. Measurement of the lattice constant in the dihydrides of Gd-Y alloys Journal of Chemical Physics, 1966, 44, 2202-2203 |
| 1540224 | CIF | Sr Zn13 | F m -3 c | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | 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, 1937, 5, 668-668 |
| 1540885 | CIF | C F4 | C 1 2/c 1 | 8.435; 4.32; 8.478 90; 120.42; 90 | 266.403 | Sataty, Y.A.; Herbstein, F.H.; Ron, A. Carbon tetrafluoride-phase II: Far-infrared spectrum and crystal structure Journal of Chemical Physics, 1975, 62, 1094-1097 |
| 1541116 | CIF | C F4 | C 1 2/c 1 | 8.435; 4.32; 8.48 90; 120.7; 90 | 265.698 | Pepe, G.; Gay, J.M. Structure of alpha-C F4 at low temperature Journal of Chemical Physics, 1989, 90, 5735-5737 |
| 1541403 | CIF | Ga2 Ni O4 | F d -3 m :1 | 8.258; 8.258; 8.258 90; 90; 90 | 563.151 | 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, 1954, 22, 1597-1600 |
| 1541413 | CIF | B H4 Na | F m -3 m | 6.1635; 6.1635; 6.1635 90; 90; 90 | 234.144 | Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics, 1954, 22, 434-436 |
| 1541415 | CIF | B H4 K | F m -3 m | 6.7272; 6.7272; 6.7272 90; 90; 90 | 304.441 | Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics, 1954, 22, 434-436 |
| 1541417 | CIF | B H4 Rb | F m -3 m | 7.029; 7.029; 7.029 90; 90; 90 | 347.281 | Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics, 1954, 22, 434-436 |
| 1541419 | CIF | B Cs H4 | F m -3 m | 7.419; 7.419; 7.419 90; 90; 90 | 408.353 | Abrahams, S. C.; Kalnajs, J. The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride Journal of Chemical Physics, 1954, 22, 434-436 |
| 1541428 | CIF | C2 Ca | F m -3 m | 5.886; 5.886; 5.886 90; 90; 90 | 203.92 | Atoji, M. Neutron structure analysis of cubic Ca C2 and K C N Journal of Chemical Physics, 1971, 54, 3514-3516 |
| 1541430 | CIF | C K N | F m -3 m | 6.51; 6.51; 6.51 90; 90; 90 | 275.894 | Atoji, M. Neutron structure analysis of cubic Ca C2 and K C N Journal of Chemical Physics, 1971, 54, 3514-3516 |
| 1541550 | CIF | C K N | F m -3 m | 6.523; 6.523; 6.523 90; 90; 90 | 277.551 | 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, 1972, 56, 3697-3702 |
| 1541579 | CIF | H2 O | F d -3 m :1 | 6.37; 6.37; 6.37 90; 90; 90 | 258.475 | Shallcross, F.V.; Carpenter, G.B. X-ray diffraction study of the cubic phase of ice Journal of Chemical Physics, 1957, 26, 782-784 |
| 1541599 | CIF | Fe2.5 Li0.5 O4 | F d -3 m :1 | 8.39; 8.39; 8.39 90; 90; 90 | 590.59 | 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, 1950, 18, 1032-1034 |
| 1541602 | CIF | C O17 S2 | F d -3 m :1 | 17.2; 17.2; 17.2 90; 90; 90 | 5088.45 | von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics, 1951, 19, 1319-1320 |
| 1541604 | CIF | C H2 O17 | F d -3 m :1 | 17.2; 17.2; 17.2 90; 90; 90 | 5088.45 | von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics, 1951, 19, 1319-1320 |
| 1541606 | CIF | C3 O17 | F d -3 m :1 | 17.2; 17.2; 17.2 90; 90; 90 | 5088.45 | von Stackelberg, M.; Mueller, H.R. On the Structure of Gas Hydrates Journal of Chemical Physics, 1951, 19, 1319-1320 |
| 1541608 | CIF | C N2 O17 | F d -3 m :1 | 17.2; 17.2; 17.2 90; 90; 90 | 5088.45 | von Stackelberg, M.; Mueller, H.R. On the Srtucture of Gas Hydrates Journal of Chemical Physics, 1951, 19, 1319-1320 |
| 1541737 | CIF | B9 H15 | P 1 21/n 1 | 11.8; 6.94; 11.25 90; 109.15; 90 | 870.304 | Dickerson, R.E.; Wheatley, P.J.; Howell, P.A.; Lipscomb, W.N. Crystal and molecular structure of B9 H15 Journal of Chemical Physics, 1957, 27, 200-209 |
| 1541878 | CIF | F9 U2 | I -4 3 m | 8.4545; 8.4545; 8.4545 90; 90; 90 | 604.316 | Zachariasen, W.H. The crystal structure of U2 F9 Journal of Chemical Physics, 1948, 16, 425-425 |
| 1541935 | CIF | O12 Sc2 W3 | P n c a | 9.596; 13.33; 9.512 90; 90; 90 | 1216.72 | 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, 1966, 45, 2745-2752 |
| 1541942 | CIF | C2 Na2 | I 41/a c d :1 | 6.743; 6.743; 12.674 90; 90; 90 | 576.262 | Atoji, M. Crystal structure determination of disodium acetylide, Na2 C2, by neutron diffraction Journal of Chemical Physics, 1974, 60, 3324-3327 |
| 1542037 | CIF | Ba Cl2 H2 O7 | I 1 2/c 1 | 8.916; 7.832; 9.425 90; 93.65; 90 | 656.814 | 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, 1968, 48, 1883-1890 |
| 1542173 | CIF | H2 | I 2 3 | 5.21; 5.21; 5.21 90; 90; 90 | 141.421 | 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, 1966, 45, 834-837 |
| 1542174 | CIF | D2 | I 2 3 | 5.21; 5.21; 5.21 90; 90; 90 | 141.421 | 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, 1966, 45, 834-837 |
| 1551105 | CIF | D0.25 K1.25 O4 S | A 1 2/a 1 | 9.777; 5.674; 14.667 90; 102.97; 90 | 792.89 | 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, 2012, 137, 074504 |
| 1551106 | CIF | D K3 O8 S2 | A 1 2/a 1 | 9.7776; 5.681; 14.7008 90; 103.051; 90 | 795.49 | 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, 2012, 137, 074504 |
| 1551107 | CIF | H K3 O8 S2 | A 1 2/a 1 | 9.6996; 5.6344; 14.5241 90; 102.728; 90 | 774.26 | 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, 2012, 137, 074504 |
| 1551108 | CIF | H K3 O8 S2 | A 1 2/a 1 | 9.7038; 5.6385; 14.5256 90; 102.953; 90 | 774.54 | 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, 2012, 137, 074504 |
| 1551109 | CIF | H K3 O8 S2 | A 1 2/a 1 | 9.8061; 5.6869; 14.7024 90; 102.926; 90 | 799.12 | 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, 2012, 137, 074504 |
| 1566642 | CIF | D2 O | P n -3 m :2 | 3.344; 3.344; 3.344 90; 90; 90 | 37.39 | 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, 1984, 81, 3612 |
| 1566643 | CIF | D2 O | I 41/a m d :2 | 4.669; 4.669; 6.81 90; 90; 90 | 148.46 | 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, 1984, 81, 3612 |
| 1566716 | CIF | D2 O | P n -3 m :2 | 3.3501; 3.3501; 3.3501 90; 90; 90 | 37.5987 | Jorgensen, James D.; Worlton, Thomas G. Disordered structure of D2O ice VII from in situ neutron powder diffraction Journal of Chemical Physics, 1985, 83, 329-333 |
| 5000205 | CIF | C5 H5 N | P n a 21 | 17.524; 8.969; 11.352 90; 90; 90 | 1784.23 | Mootz, D.; Wussow, H.-G. Crystal structures of pyridine and pyridine trihydrate Journal of Chemical Physics, 1981, 75, 1517-1522 |
| 5000222 | CIF | Ca F2 | F m -3 m | 5.4625; 5.4625; 5.4625 90; 90; 90 | 163 | Batchelder, D N; Simmons, R O Journal of Chemical Physics, 1964, 41, 2324-2329 |
| 9009872 | CIF | C2 H8 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, Roger D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
| 9009873 | CIF | Cl2 Co H4 O2 | C 1 2/m 1 | 7.2069; 8.4978; 3.5639 90; 97.6; 90 | 216.346 | 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, 1966, 44, 252-257 |
| 9009874 | CIF | Cl2 Co H4 O2 | C 1 2/m 1 | 7.2789; 8.5533; 3.5686 90; 97.58; 90 | 220.235 | 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, 1966, 44, 252-257 |
| 9009875 | CIF | C2 H10 Cu O8 | P 1 21/a 1 | 8.15; 8.18; 6.35 90; 101.083; 90 | 415.44 | 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, 1966, 44, 1648-1653 |
| 9009876 | CIF | F6 O2 Pt | I a -3 | 10.032; 10.032; 10.032 90; 90; 90 | 1009.63 | Ibers, J. A.; Hamilton, W. C. Crystal structure of O2PtF6: A neutron-diffraction study Journal of Chemical Physics, 1966, 44, 1748-1752 |
| 9009877 | CIF | Fe3 H8 O12 P2 | P 1 21/a 1 | 10.541; 4.646; 9.324 90; 100.43; 90 | 449.084 | 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, 1966, 44, 2223-2229 |
| 9009878 | CIF | Fe3 H8 O12 P2 | P 1 21/a 1 | 10.541; 4.638; 9.285 90; 100.728; 90 | 446.002 | 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, 1966, 44, 2230-2237 |
| 9009879 | CIF | F6 H8 N2 Si | F m -3 m | 8.395; 8.395; 8.395 90; 90; 90 | 591.646 | 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, 1966, 44, 2499-2505 |
| 9009880 | CIF | Al Li O2 | R -3 m :H | 2.8003; 2.8003; 14.216 90; 90; 120 | 96.542 | Marezio, M.; Remeika, J. P. High-pressure synthesis and crystal structure of alpha-LiAlO2 Journal of Chemical Physics, 1966, 44, 3143-3144 |
| 9009881 | CIF | B Li O2 | I -4 2 d | 4.1961; 4.1961; 6.5112 90; 90; 90 | 114.644 | 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, 1966, 44, 3348-3353 |
| 9009882 | CIF | H8 N2 O4 S | P n a m | 7.782; 10.636; 5.993 90; 90; 90 | 496.037 | 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, 1966, 44, 4498-4509 |
| 9009883 | CIF | H8 N2 O4 S | P n a 21 | 7.837; 10.61; 5.967 90; 90; 90 | 496.159 | 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, 1966, 44, 4498-4509 |
| 9009884 | CIF | Co H O2 | R -3 m :H | 2.851; 2.851; 13.15 90; 90; 120 | 92.566 | 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, 1969, 50, 1920-1927 |
| 9009885 | CIF | Co D O2 | R -3 m :H | 2.854; 2.854; 13.354 90; 90; 120 | 94.2 | 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, 1969, 50, 1920-1927 |
| 9009886 | CIF | Cu Ga S2 | I -4 2 d | 5.34741; 5.34741; 10.47429 90; 90; 90 | 299.51 | 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, 1973, 59, 5415-5420 |
| 9009887 | CIF | Cu In S2 | I -4 2 d | 5.52279; 5.52279; 11.13295 90; 90; 90 | 339.568 | 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, 1973, 59, 5415-5420 |
| 9012427 | CIF | Ni | F m -3 m | 3.5168; 3.5168; 3.5168 90; 90; 90 | 43.495 | 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, 1935, 3, 605-616 |
| 9012428 | CIF | Al | F m -3 m | 4.0413; 4.0413; 4.0413 90; 90; 90 | 66.003 | 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, 1935, 3, 605-616 |
| 9012430 | CIF | Au | F m -3 m | 4.0704; 4.0704; 4.0704 90; 90; 90 | 67.439 | 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, 1935, 3, 605-616 |
| 9012431 | CIF | Ag | F m -3 m | 4.0778; 4.0778; 4.0778 90; 90; 90 | 67.808 | 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, 1935, 3, 605-616 |
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