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