Crystallography Open Database
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Result: there are 275 entries in the selection
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Searching journal of publication like 'Journal of Chemical Physics'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9012482 | CIF | N | P 21 3 | 5.433; 5.433; 5.433 90; 90; 90 | 160.369 | 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, 1970, 52, 6000-6008 |
| 9012483 | CIF | Ga | I 4/m m m | 2.813; 2.813; 4.452 90; 90; 90 | 35.229 | 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, 1978, 68, 1221-1223 |
| 9012484 | CIF | Ga | I -4 3 d | 5.951; 5.951; 5.951 90; 90; 90 | 210.751 | 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, 1978, 68, 1221-1223 |
| 9012486 | CIF | P | C m c e | 3.3133; 10.473; 4.374 90; 90; 90 | 151.779 | 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, 1979, 71, 1718-1721 |
| 9012487 | CIF | P | C m c e | 3.3121; 10.408; 4.35 90; 90; 90 | 149.955 | 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, 1979, 71, 1718-1721 |
| 9012488 | CIF | P | C m c e | 3.3105; 10.363; 4.335 90; 90; 90 | 148.72 | 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, 1979, 71, 1718-1721 |
| 9012489 | CIF | P | C m c e | 3.3109; 10.319; 4.317 90; 90; 90 | 147.491 | 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, 1979, 71, 1718-1721 |
| 9012490 | CIF | P | C m c e | 3.3109; 10.209; 4.302 90; 90; 90 | 145.412 | 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, 1979, 71, 1718-1721 |
| 9012491 | CIF | P | C m c e | 3.3116; 10.26; 4.289 90; 90; 90 | 145.727 | 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, 1979, 71, 1718-1721 |
| 9012492 | CIF | P | C m c e | 3.3114; 10.233; 4.278 90; 90; 90 | 144.962 | 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, 1979, 71, 1718-1721 |
| 9012493 | CIF | P | C m c e | 3.3111; 10.215; 4.266 90; 90; 90 | 144.288 | 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, 1979, 71, 1718-1721 |
| 9012494 | CIF | P | C m c e | 3.3114; 10.189; 4.254 90; 90; 90 | 143.529 | 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, 1979, 71, 1718-1721 |
| 9012495 | CIF | P | C m c e | 3.3117; 10.158; 4.243 90; 90; 90 | 142.736 | 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, 1979, 71, 1718-1721 |
| 9012496 | CIF | P | C m c e | 3.312; 10.14; 4.229 90; 90; 90 | 142.025 | 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, 1979, 71, 1718-1721 |
| 9013463 | CIF | Fe | I m -3 m | 2.8604; 2.8604; 2.8604 90; 90; 90 | 23.403 | 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, 1935, 3, 605-616 |
| 9013464 | CIF | Sb | P 63/m m c | 4.2995; 4.2995; 11.2515 90; 90; 120 | 180.126 | Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: sample 1 Journal of Chemical Physics, 1935, 3, 605-616 |
| 9014102 | CIF | Cr2 Fe S4 | F d -3 m :2 | 9.9763; 9.9763; 9.9763 90; 90; 90 | 992.907 | 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, 2008, 128, 044710-044719 |
| 9014453 | CIF | C4 H46 O23 | P m -3 n | 11.821; 11.821; 11.821 90; 90; 90 | 1651.82 | 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, 2000, 113, 4713-4721 |
| 9014986 | CIF | H2 O | R -3 c :R | 7.6; 7.6; 7.6 70.1; 70.1; 70.1 | 375.394 | 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, 1981, 75, 5887-5899 |
| 9015208 | CIF | H2 O | P 63/m m c | 4.497479; 4.497479; 7.322382 90; 90; 120 | 128.269 | 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, 2004, 120, 11376-11379 |
| 9015938 | CIF | Ce H2 O5 P | P 31 2 1 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. Crystal structures of a series of rare earth phosphates Journal of Chemical Physics, 1948, 16, 1003-1003 |
| 9016405 | CIF | Ce O4 P | P 1 21/n 1 | 6.76; 7; 6.44 90; 103.63; 90 | 296.159 | 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, 1948, 16, 1003-1003 |
| 9017496 | CIF | F | P m -3 n | 6.67; 6.67; 6.67 90; 90; 90 | 296.741 | 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, 1964, 41, 760-764 |
| 9017497 | CIF | C2 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
| 9017498 | CIF | O2 | P 63/m m c | 2.561; 2.561; 6.575 90; 90; 120 | 37.346 | 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, 2009, 130 |
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