Crystallography Open Database
Search results
Result: there are 55 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Journal of Applied Crystallography' volume of publication is 42
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2300252 | CIF | C W | P -6 m 2 | 2.9016; 2.90156; 2.83867 90; 90; 120 | 20.697 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300250 | CIF | Al | F m -3 m | 4.03702; 4.03702; 4.03702 90; 90; 90 | 65.793 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300256 | CIF | Pb | F m -3 m | 4.9108; 4.91075; 4.91075 90; 90; 90 | 118.426 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300255 | CIF | D10 O5 | P 42/n m c :2 | 6.186; 6.186; 5.7157 90; 90; 90 | 218.72 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300257 | CIF | D | I -4 2 d | 8.15; 8.15; 4 90; 90; 90 | 265.69 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300246 | CIF | Co Li O4 P | P n m a | 10.202; 5.918; 4.709 90; 90; 90 | 284.3 | Kimura, Tsunehisa; Chang, Chengkang; Kimura, Fumiko; Maeyama, Masataka The pseudo-single-crystal method: a third approach to crystal structure determination Journal of Applied Crystallography, 2009, 42, 535-537 |
2300251 | CIF | D2 O | P 41 21 2 | 6.6748; 6.67484; 6.6838 90; 90; 90 | 297.78 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300247 | CIF | D | P 1 21/n 1 | 7.78366; 6.72568; 6.07443 90; 102.104; 90 | 310.929 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300258 | CIF | Ca H4 O6 S | C 1 2/c 1 | 6.28689; 15.2131; 6.52996 90; 127.43; 90 | 495.95 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography, 2009, 42, 1176-1188 |
2300259 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.68021; 15.2139; 6.53032 90; 118.484; 90 | 496.03 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography, 2009, 42, 1176-1188 |
2300253 | CIF | D | P n c n | 12.5626; 6.6513; 6.3788 90; 90; 90 | 533 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300260 | CIF | C D7 N O | P b c a | 11.0232; 7.66076; 7.59127 90; 90; 90 | 641.053 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2009, 42, 1054-1061 |
2300261 | CIF | C D7 N O | P b c a | 11.21169; 7.74663; 7.68077 90; 90; 90 | 667.096 | Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography, 2009, 42, 1054-1061 |
2300245 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.864; 9.354; 7.104 90; 115.83; 90 | 769.4 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300230 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.88559; 9.38013; 7.10096 90; 115.7; 90 | 773.38 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300229 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.88606; 9.38115; 7.10099 90; 115.701; 90 | 773.484 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300237 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8858; 9.3812; 7.1013 90; 115.703; 90 | 773.5 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300239 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8856; 9.3812; 7.10114 90; 115.697; 90 | 773.5 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300240 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8844; 9.3824; 7.1025 90; 115.709; 90 | 773.6 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300233 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8863; 9.38162; 7.10158 90; 115.701; 90 | 773.61 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300231 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8865; 9.3822; 7.10147 90; 115.702; 90 | 773.65 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300236 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.887; 9.3819; 7.1015 90; 115.701; 90 | 773.66 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300234 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8871; 9.3824; 7.1018 90; 115.703; 90 | 773.73 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300244 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.885; 9.3862; 7.1008 90; 115.714; 90 | 773.8 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300242 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8869; 9.3833; 7.1022 90; 115.706; 90 | 773.82 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300238 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.889; 9.38347; 7.10271 90; 115.702; 90 | 774.04 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300241 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8887; 9.384; 7.1025 90; 115.702; 90 | 774.05 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300232 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.89; 9.38466; 7.10325 90; 115.702; 90 | 774.26 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300235 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.8905; 9.38488; 7.10342 90; 115.701; 90 | 774.32 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300243 | CIF Paper | C8 H9 N O2 | P 1 21/a 1 | 12.656; 9.564; 7.236 90; 117.1; 90 | 779.7 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300211 | CIF Paper | Lu2 O5 Si | I 1 2/a 1 | 10.255; 6.6465; 12.3626 90; 102.422; 90 | 822.91 | Cong, Hengjiang; Zhang, Huaijin; Wang, Jiyang; Yu, Wentao; Fan, Jiandong; Cheng, Xiufeng; Sun, Shangqian; Zhang, Jian; Lu, Qingming; Jiang, Chunjian; Boughton, Robert I. Structural and thermal properties of the monoclinic Lu~2~SiO~5~ single crystal: evaluation as a new laser matrix Journal of Applied Crystallography, 2009, 42, 284-294 |
2300210 | CIF HKL Paper | C2 H2 Ca O5 | P 1 21/c 1 | 6.316; 14.541; 10.116 90; 109; 90 | 878.4 | Daudon, Michel; Bazin, Dominique; André, Gilles; Jungers, Paul; Cousson, Alain; Chevallier, Pierre; Véron, Emmanuel; Matzen, Guy Examination of whewellite kidney stones by scanning electron microscopy and powder neutron diffraction techniques Journal of Applied Crystallography, 2009, 42, 109-115 |
2300254 | CIF | D2 O | R -3 :H | 12.8396; 12.8396; 6.1628 90; 90; 120 | 879.86 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300249 | CIF | D2 O | R -3 :H | 12.87078; 12.87078; 6.1827 90; 90; 120 | 886.99 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300248 | CIF | D | P b c a | 18.8679; 6.94772; 6.85885 90; 90; 90 | 899.12 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography, 2009, 42, 846-866 |
2300262 | CIF HKL Paper | C17 H30 F N3 O9 | P -1 | 9.507; 9.9649; 11.0233 94.182; 100.118; 91.432 | 1024.57 | Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A. Towards extracting the charge density from normal-resolution data Journal of Applied Crystallography, 2009, 42, 1110-1121 |
2300220 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.499; 7.7576; 10.6203 90; 99.741; 90 | 1177.3 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300223 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.494; 7.7528; 10.6655 90; 99.875; 90 | 1180.7 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300226 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.528; 7.7695; 10.691 90; 99.89; 90 | 1188.8 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300228 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.683; 7.86; 10.729 90; 99.456; 90 | 1221.4 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300222 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6655; 7.8817; 10.724 90; 99.427; 90 | 1222.8 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300225 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.669; 7.8804; 10.7272 90; 99.439; 90 | 1223.3 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300217 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6636; 7.8871; 10.7244 90; 99.417; 90 | 1223.6 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300214 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6662; 7.8879; 10.7275 90; 99.432; 90 | 1224.23 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300219 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6698; 7.8878; 10.7265 90; 99.432; 90 | 1224.41 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300216 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6682; 7.8889; 10.7276 90; 99.437; 90 | 1224.55 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300215 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6689; 7.8884; 10.728 90; 99.429; 90 | 1224.61 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300221 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6706; 7.8885; 10.7284 90; 99.426; 90 | 1224.81 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300218 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6703; 7.889; 10.7282 90; 99.429; 90 | 1224.84 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
2300212 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 14.6696; 7.889; 10.7287 90; 99.427; 90 | 1224.85 | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography, 2009, 42, 385-391 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!