Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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9010898 | CIF | Al0.03 Fe0.15 Mg1.82 O6 Si1.97 | P b c a | 18.2513; 8.8274; 5.1929 90; 90; 90 | 836.636 | Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 150 C Physics and Chemistry of Minerals, 2007, 34, 185-200 |
9010899 | CIF | Ca D2 O2 | P -3 m 1 | 3.5717; 3.57; 4.8743 90; 90; 120 | 53.825 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .07 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010900 | CIF | Ca D2 O2 | P -3 m 1 | 3.5692; 3.5692; 4.8758 90; 90; 120 | 53.792 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .15 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010901 | CIF | Ca D2 O2 | P -3 m 1 | 3.5592; 3.5592; 4.8155 90; 90; 120 | 52.83 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .78 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010902 | CIF | Ca D2 O2 | P -3 m 1 | 3.5462; 3.5462; 4.7428 90; 90; 120 | 51.653 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 1.61 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010903 | CIF | Ca D2 O2 | P -3 m 1 | 3.5384; 3.5384; 4.7084 90; 90; 120 | 51.053 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.08 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010904 | CIF | Ca D2 O2 | P -3 m 1 | 3.5341; 3.5341; 4.6861 90; 90; 120 | 50.687 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.35 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010905 | CIF | Ca D2 O2 | P -3 m 1 | 3.5317; 3.5317; 4.6775 90; 90; 120 | 50.526 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.44 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010906 | CIF | Ca D2 O2 | P -3 m 1 | 3.5175; 3.5175; 4.6186 90; 90; 120 | 49.489 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 3.40 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010907 | CIF | Ca D2 O2 | P -3 m 1 | 3.5002; 3.5002; 4.5646 90; 90; 120 | 48.431 | Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L. In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 4.53 GPa Physics and Chemistry of Minerals, 2007, 34, 223-232 |
9010908 | CIF | Al0.05 Mg0.99 O2.985 Si0.96 | P b n m | 4.7785; 4.9326; 6.9059 90; 90; 90 | 162.775 | Kojitani, H.; Katsura, T.; Akaogi, M. Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.05 Physics and Chemistry of Minerals, 2007, 34, 257-267 |
9010909 | CIF | Al0.1 Mg0.97 O2.979 Si0.93 | P b n m | 4.7769; 4.9336; 6.9085 90; 90; 90 | 162.815 | Kojitani, H.; Katsura, T.; Akaogi, M. Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.10 Physics and Chemistry of Minerals, 2007, 34, 257-267 |
9010910 | CIF | Al0.05 Mg0.975 O3 Si0.975 | P b n m | 4.7783; 4.9327; 6.9051 90; 90; 90 | 162.753 | Kojitani, H.; Katsura, T.; Akaogi, M. Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Stoichiometric with XAl = 0.05 Physics and Chemistry of Minerals, 2007, 34, 257-267 |
9010911 | CIF | Al0.1 Mg0.95 O3 Si0.95 | P b n m | 4.7767; 4.9342; 6.913 90; 90; 90 | 162.934 | Kojitani, H.; Katsura, T.; Akaogi, M. Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Stoichiometric with XAl = 0.10 Physics and Chemistry of Minerals, 2007, 34, 257-267 |
9010912 | CIF | Fe O3 Ti | R -3 :H | 5.0881; 5.0881; 14.091 90; 90; 120 | 315.925 | Yamanaka, T.; Komatsu, Y.; Nomori, H. Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 1 atm Physics and Chemistry of Minerals, 2007, 34, 307-318 |
9010913 | CIF | Fe O3 Ti | R -3 :H | 5.0678; 5.0678; 13.9956 90; 90; 120 | 311.287 | Yamanaka, T.; Komatsu, Y.; Nomori, H. Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 3.6 Gpa Physics and Chemistry of Minerals, 2007, 34, 307-318 |
9010914 | CIF | Fe O3 Ti | R -3 :H | 5.0567; 5.0567; 13.8892 90; 90; 120 | 307.569 | Yamanaka, T.; Komatsu, Y.; Nomori, H. Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 5.3 GPa Physics and Chemistry of Minerals, 2007, 34, 307-318 |
9010915 | CIF | Fe O3 Ti | R -3 :H | 5.0398; 5.0398; 13.7968 90; 90; 120 | 303.484 | Yamanaka, T.; Komatsu, Y.; Nomori, H. Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 8.2 GPa Physics and Chemistry of Minerals, 2007, 34, 307-318 |
9010916 | CIF | Bi2 Pb S4 | P n a m | 11.8021; 14.569; 4.0758 90; 90; 90 | 700.813 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .0001 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010917 | CIF | Bi2 Pb S4 | P n a m | 11.7854; 14.5531; 4.069 90; 90; 90 | 697.891 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .16 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010918 | CIF | Bi2 Pb S4 | P n a m | 11.7253; 14.485; 4.0606 90; 90; 90 | 689.656 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .60 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010919 | CIF | Bi2 Pb S4 | P n a m | 11.6682; 14.435; 4.0424 90; 90; 90 | 680.863 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 1.39 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010920 | CIF | Bi2 Pb S4 | P n a m | 11.5609; 14.2968; 4.01 90; 90; 90 | 662.788 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 2.97 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010921 | CIF | Bi2 Pb S4 | P n a m | 11.4902; 14.2045; 3.9895 90; 90; 90 | 651.136 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 4.15 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010922 | CIF | Bi2 Pb S4 | P n a m | 11.4828; 14.1434; 3.9787 90; 90; 90 | 646.164 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 4.78 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010923 | CIF | Bi2 Pb S4 | P n a m | 11.3949; 14.0654; 3.9591 90; 90; 90 | 634.54 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 6.06 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010924 | CIF | Bi2 Pb S4 | P n a m | 11.2963; 13.9073; 3.9266 90; 90; 90 | 616.873 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 8.65 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010925 | CIF | Bi2 Pb S4 | P n a m | 11.2863; 13.8907; 3.9233 90; 90; 90 | 615.074 | Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R. Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = 8.92 GPa Physics and Chemistry of Minerals, 2007, 34, 467-475 |
9010926 | CIF | Al1.98 Be Cr0.02 O4 | P n m a | 9.4082; 5.479; 4.4288 90; 90; 90 | 228.294 | Weber, S. U.; Grodzicki, M.; Lottermoser, W.; Redhammer, G. J.; Tippelt, G.; Ponahlo, J.; Amthauer, G. 57Fe Mossbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural alexandrite Note: changed O1(z) from .788822 to .78822 Physics and Chemistry of Minerals, 2007, 34, 507-515 |
9010927 | CIF | Ga Li O6 Si2 | C 1 2/c 1 | 9.563; 8.571; 5.269 90; 110.273; 90 | 405.117 | Bianchi, R.; Forni, A.; Camara, F.; Oberti, R.; Ohashi, H. Experimental multipole-refined and theoretical charge density study of LiGaSi2O6 clinopyroxene at ambient conditions Physics and Chemistry of Minerals, 2007, 34, 519-527 |
9010928 | CIF | C Ba O3 | P m c n | 5.3103; 8.9122; 6.4365 90; 90; 90 | 304.617 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 25 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010929 | CIF | C Ba O3 | P m c n | 5.314; 8.9146; 6.4642 90; 90; 90 | 306.223 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 93 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010930 | CIF | C Ba O3 | P m c n | 5.319; 8.9189; 6.5019 90; 90; 90 | 308.448 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 196 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010931 | CIF | C Ba O3 | P m c n | 5.3226; 8.9212; 6.5374 90; 90; 90 | 310.422 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 298 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010932 | CIF | C Ba O3 | P m c n | 5.3264; 8.9247; 6.5751 90; 90; 90 | 312.557 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 401 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010933 | CIF | C Ba O3 | P m c n | 5.3293; 8.9275; 6.6076 90; 90; 90 | 314.372 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 486 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010934 | CIF | C Ba O3 | P m c n | 5.3322; 8.931; 6.6537 90; 90; 90 | 316.862 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 606 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010935 | CIF | C Ba O3 | P m c n | 5.3336; 8.9354; 6.6877 90; 90; 90 | 318.721 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 691 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010936 | CIF | C Ba O3 | P m c n | 5.3337; 8.9361; 6.6949 90; 90; 90 | 319.096 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 708 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010937 | CIF | C Ba O3 | P m c n | 5.3338; 8.9403; 6.7252 90; 90; 90 | 320.696 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 777 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010938 | CIF | C Ba O3 | P m c n | 5.3333; 8.9417; 6.7339 90; 90; 90 | 321.131 | Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 794 C Physics and Chemistry of Minerals, 2007, 34, 573-580 |
9010939 | CIF | Fe3 O4 | F d -3 m :2 | 8.395; 8.395; 8.395 90; 90; 90 | 591.646 | Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C. Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 0.0001 GPa, T = 293 K Physics and Chemistry of Minerals, 2007, 34, 627-635 |
9010940 | CIF | Fe3 O4 | F d -3 m :2 | 8.3198; 8.3198; 8.3198 90; 90; 90 | 575.889 | Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C. Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 4.99 GPa, T = 293 K Physics and Chemistry of Minerals, 2007, 34, 627-635 |
9010941 | CIF | Fe3 O4 | F d -3 m :2 | 8.2634; 8.2634; 8.2634 90; 90; 90 | 564.256 | Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C. Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 9.21 GPa, T = 293 K Physics and Chemistry of Minerals, 2007, 34, 627-635 |
9010942 | CIF | Al D0.744 H0.256 O2 | P 21 n m | 4.71236; 4.2311; 2.8289 90; 90; 90 | 56.404 | Vanpeteghem, C. B.; Sano, A.; Komatsu, K.; Ohtani, E.; Suzuki, A. Neutron diffraction study of aluminous hydroxide d-AlOOD Physics and Chemistry of Minerals, 2007, 34, 657-661 |
9010943 | CIF | F3 Mg Na | P b n m | 5.3622; 5.4885; 7.6694 90; 90; 90 | 225.714 | Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P. A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 300 K Physics and Chemistry of Minerals, 2007, 34, 705-712 |
9010944 | CIF | F3 Mg Na | P b n m | 5.358; 5.4874; 7.6642 90; 90; 90 | 225.339 | Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P. A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 275 K Physics and Chemistry of Minerals, 2007, 34, 705-712 |
9010945 | CIF | F3 Mg Na | P b n m | 5.3535; 5.4858; 7.6596 90; 90; 90 | 224.949 | Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P. A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 250 K Physics and Chemistry of Minerals, 2007, 34, 705-712 |
9010946 | CIF | F3 Mg Na | P b n m | 5.3494; 5.4846; 7.6557 90; 90; 90 | 224.613 | Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P. A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 225 K Physics and Chemistry of Minerals, 2007, 34, 705-712 |
9010947 | CIF | F3 Mg Na | P b n m | 5.3453; 5.4835; 7.6507 90; 90; 90 | 224.249 | Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P. A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 200 K Physics and Chemistry of Minerals, 2007, 34, 705-712 |
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