Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9007300 | CIF | Ca D5 O6 P | I 1 a 1 | 5.804; 15.1361; 6.2006 90; 116.414; 90 | 487.855 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 175 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007301 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8053; 15.142; 6.206 90; 116.413; 90 | 488.584 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 200 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007302 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8062; 15.1482; 6.2118 90; 116.41; 90 | 489.329 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 225 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007303 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8077; 15.1563; 6.2186 90; 116.408; 90 | 490.262 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 250 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007304 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8091; 15.1656; 6.2259 90; 116.407; 90 | 491.261 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 275 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007305 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8105; 15.1758; 6.2337 90; 116.405; 90 | 492.335 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 300 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007306 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8119; 15.1867; 6.2416 90; 116.405; 90 | 493.432 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 325 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007307 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8132; 15.1973; 6.2497 90; 116.406; 90 | 494.523 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 350 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007308 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8145; 15.2086; 6.258 90; 116.408; 90 | 495.65 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 375 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007309 | CIF | Ca D5 O6 P | I 1 a 1 | 5.8151; 15.2179; 6.2664 90; 116.413; 90 | 496.649 | Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 400 K Physics and Chemistry of Minerals, 2004, 31, 606-624 |
| 9007310 | CIF | Cr2 Mg O4 | F d -3 m :2 | 8.3329; 8.3329; 8.3329 90; 90; 90 | 578.613 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: MgCr5 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007311 | CIF | Cr2 Mg O4 | F d -3 m :2 | 8.3328; 8.3328; 8.3328 90; 90; 90 | 578.593 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: MgCr9A Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007312 | CIF | Cr1.992 Fe0.024 Mg0.984 O4 | F d -3 m :2 | 8.334; 8.334; 8.334 90; 90; 90 | 578.843 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-20 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007313 | CIF | Cr1.996 Fe0.072 Mg0.932 O4 | F d -3 m :2 | 8.3352; 8.3352; 8.3352 90; 90; 90 | 579.093 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-10 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007314 | CIF | Cr2 Fe0.13 Mg0.87 O4 | F d -3 m :2 | 8.3379; 8.3379; 8.3379 90; 90; 90 | 579.656 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-10B Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007315 | CIF | Cr2 Fe0.2 Mg0.8 O4 | F d -3 m :2 | 8.3415; 8.3415; 8.3415 90; 90; 90 | 580.407 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-30 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007316 | CIF | Cr2 Fe0.32 Mg0.68 O4 | F d -3 m :2 | 8.3462; 8.3462; 8.3462 90; 90; 90 | 581.388 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-50 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007317 | CIF | Cr2 Fe0.33 Mg0.67 O4 | F d -3 m :2 | 8.349; 8.349; 8.349 90; 90; 90 | 581.974 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-40 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007318 | CIF | Cr2 Fe0.37 Mg0.63 O4 | F d -3 m :2 | 8.3465; 8.3465; 8.3465 90; 90; 90 | 581.451 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-20B Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007319 | CIF | Cr2 Fe0.6 Mg0.4 O4 | F d -3 m :2 | 8.3577; 8.3577; 8.3577 90; 90; 90 | 583.795 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-45 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007320 | CIF | Cr2 Fe0.65 Mg0.35 O4 | F d -3 m :2 | 8.362; 8.362; 8.362 90; 90; 90 | 584.696 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-60 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007321 | CIF | Cr2 Fe0.67 Mg0.33 O4 | F d -3 m :2 | 8.3613; 8.3613; 8.3613 90; 90; 90 | 584.55 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-55 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007322 | CIF | Cr2 Fe0.76 Mg0.24 O4 | F d -3 m :2 | 8.3672; 8.3672; 8.3672 90; 90; 90 | 585.788 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-70 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007323 | CIF | Cr2 Fe0.87 Mg0.13 O4 | F d -3 m :2 | 8.371; 8.371; 8.371 90; 90; 90 | 586.586 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-80 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007324 | CIF | Cr2 Fe0.91 Mg0.09 O4 | F d -3 m :2 | 8.3739; 8.3739; 8.3739 90; 90; 90 | 587.196 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-90 Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007325 | CIF | Cr2 Fe O4 | F d -3 m :2 | 8.3765; 8.3765; 8.3765 90; 90; 90 | 587.743 | Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U. Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2- Physics and Chemistry of Minerals, 2004, 31, 633-642 |
| 9007326 | CIF | Al D4 N O8 Si3 | C 1 2/m 1 | 8.79182; 13.11084; 7.20473 90; 116.097; 90 | 745.809 | Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E. Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 11 K Physics and Chemistry of Minerals, 2004, 31, 643-649 |
| 9007327 | CIF | Al D4 N O8 Si3 | C 1 2/m 1 | 8.81611; 13.09609; 7.20155 90; 116.121; 90 | 746.546 | Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E. Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 210 K Physics and Chemistry of Minerals, 2004, 31, 643-649 |
| 9007328 | CIF | Al D4 N O8 Si3 | C 1 2/m 1 | 8.83157; 13.08541; 7.20024 90; 116.147; 90 | 746.943 | Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E. Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 280 K Physics and Chemistry of Minerals, 2004, 31, 643-649 |
| 9007329 | CIF | Fe0.08 Mg9.636 O14 Si2.173 | I m m a | 5.6884; 28.9238; 8.2382 90; 90; 90 | 1355.43 | Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A. Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 1 Reported formula: Mg1.71 Fe.18 Al.01 H.33 Si.96 O4 Physics and Chemistry of Minerals, 2005, 31, 691-705 |
| 9007330 | CIF | Fe0.338 Mg9.292 O14 Si2.134 | I m m a | 5.6896; 29.104; 8.243 90; 90; 90 | 1364.96 | Smyth, J. R.; Holl, C. M.; Langenhorst, F.; Laustsen, H. M. S.; Rossman, G. R.; Kleppe, A.; McCammon, C. A.; Kawamoto, T.; van Aken, P. A. Crystal chemistry of wadsleyite II and water in the Earth's interior Sample: 2 Reported formula: Mg1.60 Fe.22 Al.01 H.44 Si.97 O4 Physics and Chemistry of Minerals, 2005, 31, 691-705 |
| 9007331 | CIF | Fe2.26 Ni0.74 P | I -4 | 9.068; 9.068; 4.461 90; 90; 90 | 366.822 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Acuna Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007332 | CIF | Fe2.07 Ni0.93 P | I -4 | 9.0575; 9.0575; 4.4622 90; 90; 90 | 366.071 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Carlton Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007333 | CIF | Fe1.88 Ni1.12 P | I -4 | 9.047; 9.047; 4.46 90; 90; 90 | 365.043 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#1 Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007334 | CIF | Fe1.98 Ni1.02 P | I -4 | 9.051; 9.051; 4.462 90; 90; 90 | 365.53 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#2 Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007335 | CIF | Fe1.79 Ni1.21 P | I -4 | 9.04; 9.04; 4.462 90; 90; 90 | 364.642 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Hex River Mts cl#3 Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007336 | CIF | Fe2.1 Ni0.9 P | I -4 | 9.06; 9.06; 4.4598 90; 90; 90 | 366.076 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#1 Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007337 | CIF | Fe1.75 Ni1.25 P | I -4 | 9.0375; 9.0375; 4.4601 90; 90; 90 | 364.285 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Odessa cl#2 Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007338 | CIF | Fe2.43 Ni0.57 P | I -4 | 9.075; 9.075; 4.464 90; 90; 90 | 367.636 | Skala, R.; Cisarova, I. Crystal structure of meteoritic schreibersites: determination of absolute structure Sample: Sikhote-Alin Physics and Chemistry of Minerals, 2005, 31, 721-732 |
| 9007339 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0599; 8.7156; 6.5597 90; 113.797; 90 | 369.311 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007340 | CIF | Ca O5 Si Ti0.9 Zr0.1 | A 1 2/a 1 | 7.0788; 8.7378; 6.5754 90; 113.709; 90 | 372.383 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007341 | CIF | Ca O5 Si Ti0.81 Zr0.19 | A 1 2/a 1 | 7.0992; 8.758; 6.5894 90; 113.635; 90 | 375.329 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007342 | CIF | Ca O5 Si Ti0.71 Zr0.29 | A 1 2/a 1 | 7.1252; 8.7826; 6.6057 90; 113.553; 90 | 378.933 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007343 | CIF | Ca O5 Si Ti0.62 Zr0.38 | A 1 2/a 1 | 7.1481; 8.8011; 6.6171 90; 113.477; 90 | 381.829 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007344 | CIF | Ca O5 Si Ti0.51 Zr0.49 | A 1 2/a 1 | 7.1824; 8.8281; 6.6337 90; 113.369; 90 | 386.119 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007345 | CIF | Al1.94 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.1396; 8.1396; 8.1396 90; 90; 90 | 539.274 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Unannealed Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007346 | CIF | Al1.94 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1388; 8.1388; 8.1388 90; 90; 90 | 539.115 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 24 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007347 | CIF | Al1.94 Fe0.76 Mg0.29 O4 | F d -3 m :2 | 8.1384; 8.1384; 8.1384 90; 90; 90 | 539.035 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 72 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007348 | CIF | Al1.94 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.138; 8.138; 8.138 90; 90; 90 | 538.956 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 116 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007349 | CIF | Al1.95 Fe0.76 Mg0.29 O4 | F d -3 m :2 | 8.138; 8.138; 8.138 90; 90; 90 | 538.956 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 212 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007350 | CIF | Al1.93 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1366; 8.1366; 8.1366 90; 90; 90 | 538.678 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 236 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007351 | CIF | Al1.92 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.1347; 8.1347; 8.1347 90; 90; 90 | 538.3 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 242 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007352 | CIF | Al1.91 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1329; 8.1329; 8.1329 90; 90; 90 | 537.943 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 260 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007353 | CIF | Al1.92 Fe0.75 Mg0.29 O4 | F d -3 m :2 | 8.1291; 8.1291; 8.1291 90; 90; 90 | 537.189 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 308 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007354 | CIF | Al1.88 Fe0.75 Mg0.29 O4 | F d -3 m :2 | 8.1198; 8.1198; 8.1198 90; 90; 90 | 535.348 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 356 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007355 | CIF | Al1.87 Fe0.74 Mg0.29 O4 | F d -3 m :2 | 8.1172; 8.1172; 8.1172 90; 90; 90 | 534.834 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 452 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007356 | CIF | Al1.84 Fe0.75 Mg0.28 O4 | F d -3 m :2 | 8.1076; 8.1076; 8.1076 90; 90; 90 | 532.938 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 596 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007357 | CIF | Al1.84 Fe0.74 Mg0.29 O4 | F d -3 m :2 | 8.1045; 8.1045; 8.1045 90; 90; 90 | 532.327 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 860 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007358 | CIF | Al1.82 Fe0.72 Mg0.29 O4 | F d -3 m :2 | 8.0989; 8.0989; 8.0989 90; 90; 90 | 531.225 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1196 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007359 | CIF | Al1.81 Fe0.73 Mg0.29 O4 | F d -3 m :2 | 8.0975; 8.0975; 8.0975 90; 90; 90 | 530.949 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1842 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007360 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.826; 7.826; 5.004 90; 90; 90 | 306.476 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 298 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007361 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.83; 7.83; 5.002 90; 90; 90 | 306.667 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 348 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007362 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.832; 7.832; 5.003 90; 90; 90 | 306.885 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 359 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007363 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.833; 7.833; 5.004 90; 90; 90 | 307.025 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 373 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007364 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.838; 7.838; 5.006 90; 90; 90 | 307.54 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 413 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007365 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.845; 7.845; 5.011 90; 90; 90 | 308.397 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 463 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007366 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.852; 7.852; 5.019 90; 90; 90 | 309.441 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 513 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007367 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.857; 7.857; 5.022 90; 90; 90 | 310.02 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 573 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007368 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.868; 7.868; 5.027 90; 90; 90 | 311.199 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 673 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007369 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.879; 7.879; 5.032 90; 90; 90 | 312.38 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 773 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007370 | CIF | Al0.22 Ca2.899 Fe1.308 H0.119 Mg0.156 Mn0.02 Na0.023 Nb0.003 O12 Si2.302 Ti0.959 Zr0.08 | I a -3 d | 12.1464; 12.1464; 12.1464 90; 90; 90 | 1792.02 | Chakhmouradian, A. R.; McCammon, C. A. Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Afrikanda, Kola Peninsula, Russia Physics and Chemistry of Minerals, 2005, 32, 277-289 |
| 9007371 | CIF | Al0.157 Ca2.915 Fe1.341 Mg0.158 Mn0.034 Na0.02 Nb0.002 O12 Si2.263 Ti1.054 Zr0.056 | I a -3 d | 12.1524; 12.1524; 12.1524 90; 90; 90 | 1794.68 | Chakhmouradian, A. R.; McCammon, C. A. Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas Physics and Chemistry of Minerals, 2005, 32, 277-289 |
| 9007372 | CIF | O5 Si2 Sr | C m c e | 5.2389; 9.2803; 13.4406 90; 90; 90 | 653.463 | Kojitani, H.; Kido, M.; Akaogi, M. Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure Physics and Chemistry of Minerals, 2005, 32, 290-294 |
| 9007373 | CIF | S3 Sb2 | P n m a | 11.311; 3.836; 11.229 90; 90; 90 | 487.215 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007374 | CIF | Sb2 Se3 | P n m a | 11.794; 3.986; 11.648 90; 90; 90 | 547.583 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007375 | CIF | Bi2 S3 | P n m a | 11.305; 3.981; 11.147 90; 90; 90 | 501.673 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007376 | CIF | Bi2 Se3 | P n m a | 11.83; 4.09; 11.62 90; 90; 90 | 562.23 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007377 | CIF | Mg2 O4 Si | P b n m | 4.752; 10.192; 5.978 90; 90; 90 | 289.529 | Kirfel, A.; Lippmann, T.; Blaha, P.; Schwarz, K.; Cox, D. F.; Rosso, K. M.; Gibbs, G. V. Electron density distribution and bond critical point properties for forsterite, Mg2 SiO4, determined with synchrotron single crystal X-ray diffraction data Note: Olivine Sample: (HO;0.7) refinement Physics and Chemistry of Minerals, 2005, 32, 301-313 |
| 9007378 | CIF | O2 Si | P 32 2 1 | 4.98; 4.98; 5.46 90; 90; 120 | 117.269 | Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R. Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory Physics and Chemistry of Minerals, 2005, 32, 323-331 |
| 9007379 | CIF | H4 Mg10 O18 Si3 | P n n 2 | 14.024; 5.109; 8.733 90; 90; 90 | 625.707 | Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R. Polymorphic phase transition in Superhydrous Phase B Sample: MKM0105 Note: z(O6) corrected by authors Physics and Chemistry of Minerals, 2005, 32, 349-361 |
| 9007380 | CIF | D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 | P n n m | 13.991; 5.097; 8.715 90; 90; 90 | 621.485 | Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R. Polymorphic phase transition in Superhydrous Phase B Sample: JIM252 Physics and Chemistry of Minerals, 2005, 32, 349-361 |
| 9007381 | CIF | K2 O9 Si3 Ti | P 63/m | 6.7766; 6.7766; 9.9275 90; 90; 120 | 394.816 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007382 | CIF | K2 O9 Si3 Zr | P 63/m | 6.936; 6.936; 10.1822 90; 90; 120 | 424.219 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007383 | CIF | Cs2 O9 Si3 Zr | P 63/m | 7.2319; 7.2319; 10.2688 90; 90; 120 | 465.109 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007384 | CIF | Mn O3 Ti | R -3 :H | 5.1386; 5.1386; 14.2857 90; 90; 120 | 326.679 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007385 | CIF | Mn0.5 Ni0.5 O3 Ti | R -3 :H | 5.0855; 5.0855; 14.0191 90; 90; 120 | 313.992 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007386 | CIF | Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 | R -3 :H | 5.077; 5.077; 13.9727 90; 90; 120 | 311.907 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007387 | CIF | Mg0.333 Ni0.333 O3 Ti Zn0.333 | R -3 :H | 5.0544; 5.0544; 13.8737 90; 90; 120 | 306.946 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007388 | CIF | Mg0.5 Ni0.5 O3 Ti | R -3 :H | 5.0418; 5.0418; 13.8494 90; 90; 120 | 304.883 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007389 | CIF | Ni O3 Ti | R -3 :H | 5.0321; 5.0321; 13.7924 90; 90; 120 | 302.461 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007390 | CIF | Ge O5 Sr Ti | P 1 21/a 1 | 7.2252; 9.0754; 6.7851 90; 113.51; 90 | 407.978 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr100 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007391 | CIF | Ca0.076 Ge O5 Sr0.923 Ti | P 1 21/a 1 | 7.2125; 9.0557; 6.7692 90; 113.52; 90 | 405.394 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007392 | CIF | Ca0.3 Ge O5 Sr0.699 Ti | P 1 21/a 1 | 7.1916; 9.0134; 6.7387 90; 113.593; 90 | 400.296 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr70 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007393 | CIF | Ca0.389 Ge O5 Sr0.61 Ti | P 1 21/a 1 | 7.1929; 8.9996; 6.7295 90; 113.647; 90 | 399.045 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr60 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007394 | CIF | Ca0.507 Ge O5 Sr0.492 Ti | P 1 21/a 1 | 7.1779; 8.9752; 6.7105 90; 113.658; 90 | 395.978 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr50 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007395 | CIF | Ca0.593 Ge O5 Sr0.406 Ti | P 1 21/a 1 | 7.1757; 8.9564; 6.6988 90; 113.708; 90 | 394.188 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr40 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007396 | CIF | Ca0.713 Ge O5 Sr0.286 Ti | P 1 21/a 1 | 7.1677; 8.9408; 6.6869 90; 113.724; 90 | 392.317 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr30 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007397 | CIF | Ca0.903 Ge O5 Sr0.096 Ti | P 1 21/a 1 | 7.158; 8.9075; 6.663 90; 113.766; 90 | 388.806 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr10 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007398 | CIF | Bi2 S3 | P n m a | 11.269; 3.9717; 11.129 90; 90; 90 | 498.102 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = .0001 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007399 | CIF | Bi2 S3 | P n m a | 11.136; 3.9574; 11.035 90; 90; 90 | 486.308 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .97 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
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