Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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