Crystallography Open Database
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Result: there are 19 entries in the selection
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Searching journal of publication like 'Journal of Applied Crystallography' volume of publication is 46
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2300375 | CIF Paper | Al2 O3 | R -3 c :H | 4.76029; 4.76029; 12.992 90; 90; 120 | 254.96 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
| 2300376 | CIF Paper | Ni Si | P 21 3 | 4.49678; 4.49678; 4.49678 90; 90; 90 | 90.9295 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
| 2300377 | CIF Paper | Ni Si | P m m n :2 | 3.2735; 3.02662; 4.69776 90; 90; 90 | 46.544 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
| 2300380 | CIF Paper | C15 H4 Cu2 O10 | F m -3 m | 26.3034; 26.3034; 26.3034 90; 90; 90 | 18198.5 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
| 2300381 | CIF Paper | C33 H4 Cu2 O10 | F m -3 m | 26.3167; 26.3167; 26.3167 90; 90; 90 | 18226.1 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
| 2300382 | CIF Paper | C8.5 H7 Cu N5 O2 | C 1 2/c 1 | 28.697; 9.2637; 9.3223 90; 116.087; 90 | 2225.8 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
| 2300383 | CIF Paper | C356 H32 Y4 | C m c 21 | 11.22205; 34.8174; 11.22569 90; 90; 90 | 4386.13 | Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data Journal of Applied Crystallography, 2013, 46, 649-655 |
| 2300384 | CIF HKL | C13 H10 O | P 21 21 21 | 7.979; 10.274; 12.103 90; 90; 90 | 992.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
| 2300385 | CIF HKL | C13 H10 O | P 21 21 21 | 7.7145; 10.2301; 12.0269 90; 90; 90 | 949.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
| 2300386 | CIF | C13 H10 O | P 21 21 21 | 7.9958; 10.2907; 12.174 90; 90; 90 | 1001.7 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
| 2300387 | CIF HKL Paper | B3 Ba5 F O9 | P n m a | 7.60788; 14.8299; 10.2865 90; 90; 90 | 1160.57 | Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P. A new mechanism of anionic substitution in fluoride borates Journal of Applied Crystallography, 2013, 46, 1081-1084 |
| 2300388 | CIF Paper | As0.84 Cu1.08 Mn0.94 | P 4/n m m :2 | 3.82; 3.82; 6.318 90; 90; 90 | 92.2 | Wadley, P.; Crespi, A.; Gázquez, J.; Roldán, M.A.; García, P.; Novak, V.; Campion, R.; Jungwirth, T.; Rinaldi, C.; Martí, X.; Holy, V.; Frontera, C.; Rius, J. Obtaining the structure factors for an epitaxial film using Cu X-ray radiation Journal of Applied Crystallography, 2013, 46, 1749-1754 |
| 2300457 | CIF Paper | Ba0.41 Mo O4 Sr0.59 | I 41/a :2 | 5.50729; 5.50729; 12.4789 90; 90; 90 | 378.488 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
| 2300458 | CIF Paper | Ba0.73 Mo O4 Sr0.27 | I 41/a :2 | 5.54906; 5.54906; 12.66803 90; 90; 90 | 390.075 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
| 2300459 | CIF Paper | Ba Mo O4 | I 41/a :2 | 5.584828; 5.584828; 12.82922 90; 90; 90 | 400.147 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
| 2300460 | CIF Paper | Mo O4 Sr | I 41/a :2 | 5.402647; 5.402647; 12.04112 90; 90; 90 | 351.463 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
| 2300461 | CIF Paper | Ba0.19 Mo O4 Sr0.81 | I 41/a :2 | 5.45711; 5.45711; 12.25476 90; 90; 90 | 364.947 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
| 2300500 | CIF HKL Paper | C10 H16 N6 S | C 1 2/c 1 | 82.904; 4.85; 18.76 90; 74.34; 90 | 7263 | Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais Cimetidine, C~10~H~16~N~6~S, form C: crystal structure and modelling of polytypes using the superspace approach Journal of Applied Crystallography, 2013, 46, 99-107 |
| 2300547 | CIF Paper | C10 H16 N6 S | P 1 2/c 1 (a,2*b,c) | 13.817; 4.85; 18.76 90; 74.34; 90 | 1210.5 | Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach Journal of Applied Crystallography, 2013, 46, 99 |
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