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 |
|---|---|---|---|---|---|---|
| 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 | H | 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 | D | 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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