Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1570682 | CIF | C4 N2 O | P 6 2 2 | 3.266; 3.266; 1.1547 90; 90; 120 | 10.667 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570686 | CIF | C4 N2 O | P 6/m | 3.266; 3.266; 1.1547 90; 90; 120 | 10.667 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570661 | CIF | C2 O | P 62 2 2 | 1.89375; 1.89375; 3.44983 90; 90; 120 | 10.715 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570664 | CIF | C | P 64 2 2 | 1.89375; 1.89375; 3.44983 90; 90; 120 | 10.715 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570678 | CIF | C6 O | P 42 3 2 | 2.21608; 2.21608; 2.21608 90; 90; 90 | 10.883 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570676 | CIF | C4 O | I 4 2 2 | 2.12045; 2.12045; 2.45424 90; 90; 90 | 11.035 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1526564 | CIF | D2 | P 63/m m c | 2.015; 2.015; 3.237 90; 90; 120 | 11.382 | Kawamura, H.; Akahama, Y.; Shimomura, O.; Umemoto, S.; Takemura, K.; Ohishi, Y. X-ray powder diffraction from solid deuterium Solid State Communications, 2001, 119, 29-32 |
1570687 | CIF | C4 N2 O | I 4 2 2 | 2.37485; 2.37485; 2.16458 90; 90; 90 | 12.208 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570688 | CIF | C4 N2 O | P 4/n n c :2 | 2.37513; 2.37513; 2.16441 90; 90; 90 | 12.21 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570690 | CIF | C12 N4 O3 | P n -3 n :1 | 2.3094; 2.3094; 2.3094 90; 90; 90 | 12.317 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1570691 | CIF | C12 N4 O3 | I 4 3 2 | 2.3094; 2.3094; 2.3094 90; 90; 90 | 12.317 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
1010788 | CIF | Cl2 Mn | 2.34; 2.34; 2.34 91.5; 91.5; 91.5 | 12.8 | Bruni, G; Ferrari, A Sulla struttura cristallina di alcuni cloruri bivalenti Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945), 1926, 4, 10-13 | |
9012918 | CIF | Si | P 6/m m m | 2.527; 2.527; 2.373 90; 90; 120 | 13.123 | Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B. Structural phase transitions in Si and Ge under pressures up to 50 GPa Sample: at P = 19.5 GPa Note: phase V, structure stable between 16 GPa & 34 GPa Physics Letters, 1984, 137-140 |
9012036 | CIF | Be | P 63/m m c | 2.2207; 2.2207; 3.4488 90; 90; 120 | 14.729 | Ming, L. C.; Manghnani, M. H. Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 11.5 GPa Note: BeI phase Journal of Physics F: Metal Physics, 1984, 14, 1-8 |
9012035 | CIF | Be | P 63/m m c | 2.2504; 2.2504; 3.4776 90; 90; 120 | 15.252 | Ming, L. C.; Manghnani, M. H. Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 8.6 GPa Note: BeI phase Journal of Physics F: Metal Physics, 1984, 14, 1-8 |
9012034 | CIF | Be | P 63/m m c | 2.2526; 2.2526; 3.5064 90; 90; 120 | 15.408 | Ming, L. C.; Manghnani, M. H. Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 5 GPa Note: BeI phase Journal of Physics F: Metal Physics, 1984, 14, 1-8 |
1523072 | CIF | Ga0.5 Sb0.5 | P 6/m m m | 2.6981; 2.6981; 2.479 90; 90; 120 | 15.629 | Weir, S.T.; Vohra, Y.K.; Ruoff, A.L. Phase transitions in Ga Sb to 110 GPa (1.1Mbar) Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1987, 36, 4543-4546 |
9011570 | CIF | H | P 63/m m c | 2.259; 2.259; 3.609 90; 90; 120 | 15.95 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 26.5 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
9012033 | CIF | Be | P 63/m m c | 2.28; 2.28; 3.6 90; 90; 120 | 16.207 | Ming, L. C.; Manghnani, M. H. Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = .001 GPa Note: BeI phase Journal of Physics F: Metal Physics, 1984, 14, 1-8 |
2101328 | CIF Paper | B17 Be N2 | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M. Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method Acta Crystallographica Section B, 1995, 51, 580-591 |
9017314 | CIF | Be | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Larsen, F. K.; Hansen, N. K. Diffraction study of the electron density distribution in beryllium metal Acta Crystallographica, Section B, 1984, 40, 169-179 |
9012007 | CIF | Be | P 63/m m c | 2.2858; 2.2858; 3.5842 90; 90; 120 | 16.218 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 24 C Journal of Applied Physics, 1949, 20, 908-917 |
9012008 | CIF | Be | P 63/m m c | 2.2858; 2.2858; 3.5843 90; 90; 120 | 16.219 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 908-917 |
9012009 | CIF | Be | P 63/m m c | 2.2858; 2.2858; 3.5843 90; 90; 120 | 16.219 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 26.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012032 | CIF | Be | P 63/m m c | 2.2858; 2.2858; 3.5843 90; 90; 120 | 16.219 | Yang, Y. W.; Coppens, P. The electron density and bonding in beryllium metal as studied by Fourier methods Acta Crystallographica Section A, 1978, 34, 61-65 |
9008488 | CIF | Be | P 63/m m c | 2.2866; 2.2866; 3.5833 90; 90; 120 | 16.225 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Hexagonal closest packed, hcp, structure Crystal Structures, 1963, 1, 7-83 |
9012010 | CIF | Be | P 63/m m c | 2.2871; 2.2871; 3.586 90; 90; 120 | 16.245 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 74 C Journal of Applied Physics, 1949, 20, 908-917 |
9012011 | CIF | Be | P 63/m m c | 2.2875; 2.2875; 3.5865 90; 90; 120 | 16.253 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 95 C Journal of Applied Physics, 1949, 20, 908-917 |
9012012 | CIF | Be | P 63/m m c | 2.29; 2.29; 3.589 90; 90; 120 | 16.3 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 147 C Journal of Applied Physics, 1949, 20, 908-917 |
9012013 | CIF | Be | P 63/m m c | 2.2923; 2.2923; 3.5918 90; 90; 120 | 16.345 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 215 C Journal of Applied Physics, 1949, 20, 908-917 |
9012014 | CIF | Be | P 63/m m c | 2.2932; 2.2932; 3.593 90; 90; 120 | 16.363 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 239 C Journal of Applied Physics, 1949, 20, 908-917 |
9012015 | CIF | Be | P 63/m m c | 2.2958; 2.2958; 3.5959 90; 90; 120 | 16.414 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 293 C Journal of Applied Physics, 1949, 20, 908-917 |
9012016 | CIF | Be | P 63/m m c | 2.2982; 2.2982; 3.5994 90; 90; 120 | 16.464 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 360 C Journal of Applied Physics, 1949, 20, 908-917 |
9012017 | CIF | Be | P 63/m m c | 2.2995; 2.2995; 3.6009 90; 90; 120 | 16.49 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 385 C Journal of Applied Physics, 1949, 20, 908-917 |
9012018 | CIF | Be | P 63/m m c | 2.3008; 2.3008; 3.6027 90; 90; 120 | 16.516 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 423 C Journal of Applied Physics, 1949, 20, 908-917 |
9012019 | CIF | Be | P 63/m m c | 2.3043; 2.3043; 3.6067 90; 90; 120 | 16.585 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 496 C Journal of Applied Physics, 1949, 20, 908-917 |
9012020 | CIF | Be | P 63/m m c | 2.3078; 2.3078; 3.6105 90; 90; 120 | 16.653 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 567.5 C Journal of Applied Physics, 1949, 20, 908-917 |
1538607 | CIF | N1.29 Ti3 | R -3 m :H | 2.9809; 2.9809; 2.16642 90; 90; 120 | 16.671 | Lengauer, W. The crystal structure of eta-Ti3 N2-x: An additional new phase in the Ti - N system Journal of the Less-Common Metals, 1986, 125, 127-134 |
9012021 | CIF | Be | P 63/m m c | 2.3091; 2.3091; 3.6127 90; 90; 120 | 16.682 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 601.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012022 | CIF | Be | P 63/m m c | 2.314; 2.314; 3.619 90; 90; 120 | 16.782 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 695 C Journal of Applied Physics, 1949, 20, 908-917 |
9012023 | CIF | Be | P 63/m m c | 2.3148; 2.3148; 3.6199 90; 90; 120 | 16.798 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 716 C Journal of Applied Physics, 1949, 20, 908-917 |
9012024 | CIF | Be | P 63/m m c | 2.3189; 2.3189; 3.6251 90; 90; 120 | 16.882 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 793.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012025 | CIF | Be | P 63/m m c | 2.3193; 2.3193; 3.6255 90; 90; 120 | 16.889 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 807.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012026 | CIF | Be | P 63/m m c | 2.3241; 2.3241; 3.622 90; 90; 120 | 16.943 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 895 C Journal of Applied Physics, 1949, 20, 908-917 |
9012027 | CIF | Be | P 63/m m c | 2.3241; 2.3241; 3.622 90; 90; 120 | 16.943 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 901.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012028 | CIF | Be | P 63/m m c | 2.3249; 2.3249; 3.6227 90; 90; 120 | 16.958 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 904.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012029 | CIF | Be | P 63/m m c | 2.3298; 2.3298; 3.6296 90; 90; 120 | 17.062 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 989.5 C Journal of Applied Physics, 1949, 20, 908-917 |
9012031 | CIF | Be | P 63/m m c | 2.33; 2.33; 3.6294 90; 90; 120 | 17.064 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 1013 C Journal of Applied Physics, 1949, 20, 908-917 |
9012030 | CIF | Be | P 63/m m c | 2.33; 2.33; 3.6297 90; 90; 120 | 17.065 | Gordon, P. A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Sample: at T = 1004 C Journal of Applied Physics, 1949, 20, 908-917 |
9011569 | CIF | H | P 63/m m c | 2.308; 2.308; 3.703 90; 90; 120 | 17.083 | Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E. Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 21.4 GPa, T = 300 K Science, 1988, 239, 1131-1133 |
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