Crystallography Open Database
Search results
Result: there are 527382 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Displaying all data in COD
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9007400 | CIF | Bi2 S3 | P n m a | 10.987; 3.9353; 10.903 90; 90; 90 | 471.415 | 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 = 2.43 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007401 | CIF | Bi2 S3 | P n m a | 10.907; 3.9191; 10.822 90; 90; 90 | 462.593 | 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 = 3.53 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007402 | CIF | Bi2 S3 | P n m a | 10.758; 3.8833; 10.65 90; 90; 90 | 444.92 | 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 = 5.92 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007403 | CIF | Bi2 S3 | P n m a | 10.701; 3.8655; 10.565 90; 90; 90 | 437.018 | 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 = 7.22 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007404 | CIF | Bi2 S3 | P n m a | 10.659; 3.8525; 10.51 90; 90; 90 | 431.581 | 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 = 8.30 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007405 | CIF | Bi2 S3 | P n m a | 10.634; 3.8423; 10.463 90; 90; 90 | 427.508 | 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 = 9.18 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007406 | CIF | Co Mg O4 Si | P b n m | 4.77572; 10.27159; 6.00235 90; 90; 90 | 294.441 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 20 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007407 | CIF | Co Mg O4 Si | P b n m | 4.78873; 10.30879; 6.02484 90; 90; 90 | 297.422 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 300 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007408 | CIF | Co Mg O4 Si | P b n m | 4.80159; 10.34656; 6.04592 90; 90; 90 | 300.361 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 600 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007409 | CIF | Co Mg O4 Si | P b n m | 4.81065; 10.37135; 6.06168 90; 90; 90 | 302.435 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 800 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007410 | CIF | Co Mg O4 Si | P b n m | 4.82045; 10.39863; 6.07821 90; 90; 90 | 304.677 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 1000 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007411 | CIF | F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 | P 21/b 1 1 | 4.7375; 10.292; 7.8897 109.071; 90; 90 | 363.575 | Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 500 K Physics and Chemistry of Minerals, 2006, 33, 17-27 |
| 9007412 | CIF | F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 | P 21/b 1 1 | 4.7426; 10.3082; 7.901 109.072; 90; 90 | 365.059 | Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 700 K Physics and Chemistry of Minerals, 2006, 33, 17-27 |
| 9007413 | CIF | F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 | P 21/b 1 1 | 4.7501; 10.3297; 7.91912 109.048; 90; 90 | 367.292 | Kunz, M.; Lager, G. A.; Burgi, H. B.; Fernandez-Diaz M T High-temperature single-crystal neutron diffraction study of natural chondrodite Sample: T = 900 K Physics and Chemistry of Minerals, 2006, 33, 17-27 |
| 9007414 | CIF | Ca0.9 Na0.1 O5 Si Ta0.1 Ti0.9 | A 1 2/a 1 | 7.0826; 8.7156; 6.5767 90; 113.911; 90 | 371.132 | Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1 Physics and Chemistry of Minerals, 2006, 33, 73-83 |
| 9007415 | CIF | Ca0.8 Na0.2 O5 Si Ta0.2 Ti0.8 | A 1 2/a 1 | 7.1122; 8.7166; 6.5962 90; 114.078; 90 | 373.346 | Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2 Physics and Chemistry of Minerals, 2006, 33, 73-83 |
| 9007416 | CIF | Al0.1 Ca O5 Si Ta0.1 Ti0.8 | A 1 2/a 1 | 7.0547; 8.7121; 6.5629 90; 113.75; 90 | 369.204 | Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1 Physics and Chemistry of Minerals, 2006, 33, 73-83 |
| 9007417 | CIF | Al0.2 Ca O5 Si Ta0.2 Ti0.6 | A 1 2/a 1 | 7.061; 8.7162; 6.5697 90; 113.742; 90 | 370.113 | Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2 Physics and Chemistry of Minerals, 2006, 33, 73-83 |
| 9007418 | CIF | Al0.3 Ca O5 Si Ta0.3 Ti0.4 | A 1 2/a 1 | 7.0699; 8.722; 6.5776 90; 113.744; 90 | 371.266 | Liferovich, R. P.; Mitchell, R. H. Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3 Physics and Chemistry of Minerals, 2006, 33, 73-83 |
| 9007419 | CIF | Fe0.117 Mg6.217 O14 Si2 | P 63 | 7.8678; 7.8678; 9.5771 90; 90; 120 | 513.418 | Holl, C. M.; Smyth, J. R.; Manghnani, M. H.; Amulele, G. M.; Sekar, M.; Frost, D. J.; Prakapenka, V. B.; Shen, G. Crystal structure and compression of an iron-bearing Phase A to 33 GPa Physics and Chemistry of Minerals, 2006, 33, 192-199 |
| 9007420 | CIF | Al2 F2 O4 Si | P b n m | 4.6627; 8.8343; 8.3867 90; 90; 90 | 345.462 | Gatta, G. D.; Nestola, F.; Ballaran, T. B. Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = .0001 GPa Physics and Chemistry of Minerals, 2006, 33, 235-242 |
| 9007421 | CIF | Al2 F2 O4 Si | P b n m | 4.6325; 8.7938; 8.3254 90; 90; 90 | 339.154 | Gatta, G. D.; Nestola, F.; Ballaran, T. B. Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 3.14 GPa Physics and Chemistry of Minerals, 2006, 33, 235-242 |
| 9007422 | CIF | Al2 F2 O4 Si | P b n m | 4.6071; 8.7614; 8.2765 90; 90; 90 | 334.078 | Gatta, G. D.; Nestola, F.; Ballaran, T. B. Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 5.79 GPa Physics and Chemistry of Minerals, 2006, 33, 235-242 |
| 9007423 | CIF | Al2 F2 O4 Si | P b n m | 4.5841; 8.7308; 8.2316 90; 90; 90 | 329.452 | Gatta, G. D.; Nestola, F.; Ballaran, T. B. Elastic behaviour and structural evolution of topaz at high pressure Locality: Ouro Preto, Minas Gerias, Brazil Sample: P = 8.39 GPa Physics and Chemistry of Minerals, 2006, 33, 235-242 |
| 9007424 | CIF | H4 Mg3 O9 Si2 | P 1 | 5.434; 5.434; 7.153 90; 90; 120 | 182.919 | Auzende, A. L.; Pellenq, R. J. M.; Devouard, B.; Baronnet, A.; Grauby, O. Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite Note: 1T polytype Note: Hypothetical structure derived using semi-empirical potentials Physics and Chemistry of Minerals, 2006, 33, 266-275 |
| 9007425 | CIF | As Bi O4 | I 41/a :1 | 5.08; 5.08; 11.7 90; 90; 90 | 301.935 | Mooney, R. C. L. Crystal structure of tetragonal bismuth arsenate, BiAsO4 Acta Crystallographica, 1948, 1, 163-165 |
| 9007426 | CIF | Cl Cu2 H3 O3 | P n a m | 6.01; 9.13; 6.84 90; 90; 90 | 375.32 | Wells, A. F. The crystal structure of atacamite and the crystal chemistry of cupric compounds Acta Crystallographica, 1949, 2, 175-180 |
| 9007427 | CIF | B Cl Cu H4 O4 | P 4/n :1 | 6.19; 6.19; 5.61 90; 90; 90 | 214.953 | Collin, R. L. The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4 Acta Crystallographica, 1951, 4, 204-209 |
| 9007428 | CIF | Ca3 H6 O10 Si2 | C 1 c 1 | 16.27; 5.632; 13.23 90; 134.8; 90 | 860.212 | Megaw, H. D. The structure of afwillite, Ca3(SiO3OH)2*2H2O Acta Crystallographica, 1952, 5, 477-491 |
| 9007429 | CIF | C2 Ca5 O13 Si2 | P 1 21/a 1 | 15.025; 10.269; 7.628 90; 105.83; 90 | 1132.3 | Smith, J. V. The crystal structure of tilleyite Acta Crystallographica, 1953, 6, 9-18 |
| 9007430 | CIF | H2 K O4 P | F d d | 10.53; 10.44; 6.9 90; 90; 90 | 758.539 | Frazer B C; Pepinsky R X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 116 K Locality: synthetic Acta Crystallographica, 1953, 6, 273-285 |
| 9007431 | CIF | H2 K O4 P | F -4 d 2 | 10.48; 10.48; 6.9 90; 90; 90 | 757.83 | Frazer, B. C.; Pepinsky, R. X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 126 K Acta Crystallographica, 1953, 6, 273-285 |
| 9007432 | CIF | O2 Ti | P 42/m n m | 4.594; 4.594; 2.959 90; 90; 90 | 62.449 | Baur, W. H. "Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~ Acta Crystallographica, 1956, 9, 515-520 |
| 9007434 | CIF | F2 Mg | P 42/m n m | 4.625; 4.625; 3.052 90; 90; 90 | 65.284 | Baur, W. H. "Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~ Acta Crystallographica, 1956, 9, 515-520 |
| 9007435 | CIF | Ge O2 | P 42/m n m | 4.395; 4.395; 2.86 90; 90; 90 | 55.244 | Baur, W. H. "Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~ Acta Crystallographica, 1956, 9, 515-520 |
| 9007436 | CIF | H13 Mg O9 P | R 3 :H | 8.88; 8.88; 9.1 90; 90; 120 | 621.438 | Corbridge, D. E. C. The crystal structure of magnesium phosphite hexahydrate, MgHPO3*6H2O Acta Crystallographica, 1956, 9, 991-994 |
| 9007437 | CIF | Sb2 Se3 | P b n m | 11.62; 11.77; 3.962 90; 90; 90 | 541.872 | Tideswell, N. W.; Kruse, F. H.; McCullough, J. D. The crystal structure of antimony selenide, Sb2Se3 Acta Crystallographica, 1957, 10, 99-102 |
| 9007438 | CIF | Cr0.875 S | P -3 m 1 | 3.464; 3.464; 5.763 90; 90; 120 | 59.887 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007439 | CIF | Cr5 S6 | P -3 1 c | 5.982; 5.982; 11.509 90; 90; 120 | 356.665 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007440 | CIF | Cr2 S3 | P -3 1 c | 5.939; 5.939; 11.192 90; 90; 120 | 341.873 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007441 | CIF | Cr2 S3 | R -3 :H | 5.937; 5.937; 16.698 90; 90; 120 | 509.717 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007442 | CIF | Cr3 S4 | I 1 2/m 1 | 5.694; 3.428; 11.272 90; 91.5; 90 | 219.943 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007443 | CIF | Cr S | C 1 2/c 1 | 3.826; 5.913; 6.089 90; 101.6; 90 | 134.939 | Jellinek, F. The structures of the chromium sulphides Acta Crystallographica, 1957, 10, 620-628 |
| 9007444 | CIF | O4 S Zn | P n m a | 8.58; 6.73; 4.77 90; 90; 90 | 275.436 | Kokkoros, P. A.; Rentzeperis, P. J. The crystal structure of the anhydrous sulphates of copper and zinc Acta Crystallographica, 1958, 11, 361-364 |
| 9007445 | CIF | Al4 O7 Sr | C 1 2/c 1 | 13.04; 9.01; 5.55 90; 106.502; 90 | 625.213 | Boyko, E. R.; Wisnyi, L. G. The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3 Acta Crystallographica, 1958, 11, 444-445 |
| 9007446 | CIF | Al4 Ca O7 | C 1 2/c 1 | 12.89; 8.88; 5.45 90; 107.05; 90 | 596.407 | Boyko, E. R.; Wisnyi, L. G. The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3 Acta Crystallographica, 1958, 11, 444-445 |
| 9007447 | CIF | B3 Ca H13 O12 | P 1 21/a 1 | 10.63; 12.06; 8.405 90; 114; 90 | 984.348 | Clark, J. R. Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O Acta Crystallographica, 1959, 12, 162-170 |
| 9007448 | CIF | O2 Zr | P 1 21/c 1 | 5.169; 5.232; 5.341 90; 99.25; 90 | 142.565 | McCullough, J. D.; Trueblood, K. N. The crystal structure of baddeleyite (monoclinic ZrO2) Acta Crystallographica, 1959, 12, 507-511 |
| 9007449 | CIF | Cu21.332 Pb2 S15 | I m m m | 3.86; 14.67; 22.8 90; 90; 90 | 1291.08 | Dornberger-Schiff K; Hohne, E. Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15 Acta Crystallographica, 1959, 12, 646-651 |
| 9007450 | CIF | Al2 H2 Mg O10 P2 | P 1 21/c 1 | 7.16; 7.26; 7.24 90; 120.67; 90 | 323.703 | Lindberg, M. L.; Christ, C. L. Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite Acta Crystallographica, 1959, 12, 695-697 |
| 9007451 | CIF | Al2 Fe H2 O10 P2 | P 1 21/c 1 | 7.15; 7.31; 7.25 90; 120.58; 90 | 326.23 | Lindberg, M. L.; Christ, C. L. Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite Acta Crystallographica, 1959, 12, 695-697 |
| 9007452 | CIF | H8 O12 S2 Zr | F d d d :1 | 25.92; 11.62; 5.532 90; 90; 90 | 1666.19 | Singer, J.; Cromer, D. T. The crystal structure analysis of zirconium sulphate tetrahydrate Locality: synthetic Acta Crystallographica, 1959, 12, 719-723 |
| 9007453 | CIF | Al4 Ca H2 Mg2 O12 Si | C 1 2/m 1 | 5.19; 9; 9.74 90; 100.1; 90 | 447.905 | Takeuchi, Y.; Sadanaga, R. The crystal structure of xanthophyllite Acta Crystallographica, 1959, 12, 945-946 |
| 9007454 | CIF | As S2 Tl | P 1 21/a 1 | 12.27; 11.33; 6.11 90; 104.2; 90 | 823.453 | Zemann, A.; Zemann, J. Zur kenntnis der kristallstruktur von lorandit, TlAsS2 Acta Crystallographica, 1959, 12, 1002-1006 |
| 9007455 | CIF | C Ca5 O11 Si2 | P 1 21/a 1 | 10.49; 6.705; 14.16 90; 101.317; 90 | 976.585 | Smith, J. V.; Karle, I. L.; Hauptman, H.; Karle, J. The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure Acta Crystallographica, 1960, 13, 454-458 |
| 9007456 | CIF | C W | P -6 m 2 | 2.9065; 2.9065; 2.8366 90; 90; 120 | 20.752 | Leciejewicz, J. A note on the structure of tungsten carbide Acta Crystallographica, 1961, 14, 200-200 |
| 9007457 | CIF | F Na | F m -3 m | 4.634; 4.634; 4.634 90; 90; 90 | 99.51 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 29.6 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007458 | CIF | F Na | F m -3 m | 4.64; 4.64; 4.64 90; 90; 90 | 99.897 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 68.1 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007459 | CIF | F Na | F m -3 m | 4.6466; 4.6466; 4.6466 90; 90; 90 | 100.324 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 108 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007460 | CIF | F Na | F m -3 m | 4.6537; 4.6537; 4.6537 90; 90; 90 | 100.785 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 148 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007461 | CIF | F Na | F m -3 m | 4.6585; 4.6585; 4.6585 90; 90; 90 | 101.097 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 176 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007462 | CIF | F Na | F m -3 m | 4.6648; 4.6648; 4.6648 90; 90; 90 | 101.508 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 208 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007463 | CIF | F Na | F m -3 m | 4.6726; 4.6726; 4.6726 90; 90; 90 | 102.018 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 254 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007464 | CIF | Br Na | F m -3 m | 5.9738; 5.9738; 5.9738 90; 90; 90 | 213.183 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 31.5 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007465 | CIF | Br Na | F m -3 m | 5.9879; 5.9879; 5.9879 90; 90; 90 | 214.696 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 82.7 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007466 | CIF | Br Na | F m -3 m | 5.9985; 5.9985; 5.9985 90; 90; 90 | 215.838 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 119.4 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007467 | CIF | Br Na | F m -3 m | 6.011; 6.011; 6.011 90; 90; 90 | 217.19 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 160 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007468 | CIF | Br Na | F m -3 m | 6.0389; 6.0389; 6.0389 90; 90; 90 | 220.228 | Deshpande, V. T. Thermal expansion of sodium fluoride and sodium bromide Note: T = 252 C, rocksalt structure Acta Crystallographica, 1961, 14, 794-794 |
| 9007469 | CIF | Fe H8 O12 P2 Zn2 | P 1 21/c 1 | 10.23; 5.08; 10.49 90; 120.25; 90 | 470.919 | Kleber, W.; Liebau, F.; Piatkowiak, E. Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O Acta Crystallographica, 1961, 14, 795-795 |
| 9007470 | CIF | Al2.48 H20 K0.5 Na2 O21 Si5.52 | B 2 m b | 9.965; 14.252; 14.252 90; 90; 90 | 2024.09 | Steinfink, H. The crystal structure of the zeolite, phillipsite Acta Crystallographica, 1962, 15, 644-651 |
| 9007471 | CIF | Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2 | P 1 21/m 1 | 8.035; 5.805; 7.346 90; 105.63; 90 | 329.97 | Fleet, S. G.; Megaw, H. D. The crystal structure of yoderite Acta Crystallographica, 1962, 15, 721-728 |
| 9007473 | CIF | Fe2 H16 O16 S2 | P 1 21/n 1 | 5.979; 13.648; 7.977 90; 90.43; 90 | 650.916 | Baur, W. H. Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit) Locality: synthetic Acta Crystallographica, 1962, 15, 815-826 |
| 9007474 | CIF | Ca2 F H3 O5 Si | P -1 | 10.992; 8.185; 5.671 93.95; 91.32; 89.85 | 508.87 | McIver, E. J. The structure of bultfonteinite, Ca4Si2O10F2H6 Acta Crystallographica, 1963, 16, 551-558 |
| 9007475 | CIF | C Ca O3 | P 63/m m c | 4.13; 4.13; 8.49 90; 90; 120 | 125.412 | Kamhi, S. R. On the structure of vaterite, CaCO3 Acta Crystallographica, 1963, 16, 770-772 |
| 9007476 | CIF | H12 Mg O10 S | C 1 2/c 1 | 10.11; 7.212; 24.41 90; 98.3; 90 | 1761.17 | Zalkin, A.; Ruben, H.; Templeton, D. H. The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate Acta Crystallographica, 1964, 17, 235-240 |
| 9007477 | CIF | Ge O2 | P 32 2 1 | 4.987; 4.987; 5.652 90; 90; 120 | 121.734 | Smith, G. S.; Isaacs, P. B. The crystal structure of quartz-like GeO2 Note: polymorph of argutite Acta Crystallographica, 1964, 17, 842-846 |
| 9007478 | CIF | Ag S2 Sb | C 1 c 1 | 12.862; 4.411; 13.22 90; 98.63; 90 | 741.535 | Knowles, C. R. A redetermination of the structure of miargyrite, AgSbS2 Acta Crystallographica, 1964, 17, 847-851 |
| 9007479 | CIF | Al1.98 Ba0.3 Ca0.14 H8 O20.9 Si6.02 Sr0.58 | P 1 21/m 1 | 6.772; 17.51; 7.744 90; 94.3; 90 | 915.681 | Perrotta, A. J.; Smith, J. V. The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O Note: zeolite Acta Crystallographica, 1964, 17, 857-862 |
| 9007480 | CIF | H8 Mg O8 S | P 1 21/n 1 | 5.922; 13.604; 7.905 90; 90.85; 90 | 636.78 | Baur, W. H. On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO4*4H2O Acta Crystallographica, 1964, 17, 863-869 |
| 9007481 | CIF | C2 H6 O12 Zn5 | C 1 2/m 1 | 13.62; 6.3; 5.42 90; 95.833; 90 | 462.661 | Ghose, S. The crystal structure of hydrozincite, Zn5(OH)6(CO3)2 Acta Crystallographica, 1964, 17, 1051-1057 |
| 9007482 | CIF | Fe H14 O11 S | P 1 21/c 1 | 14.072; 6.503; 11.041 90; 105.57; 90 | 973.287 | Baur, W. H. On the crystal chemistry of salt hydrates. III. The determination of the crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic Acta Crystallographica, 1964, 17, 1167-1174 |
| 9007483 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.221 | Baur, W. H. On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths Acta Crystallographica, 1964, 17, 1361-1369 |
| 9007484 | CIF | Mg Na6 O16 S4 | P 1 21/c 1 | 9.797; 9.217; 8.199 90; 113.5; 90 | 678.956 | Fischer, W.; Hellner, E. Ueber die struktur des vanthoffits Acta Crystallographica, 1964, 17, 1613-1613 |
| 9007485 | CIF | O2 Zr | P 1 21/c 1 | 5.145; 5.2075; 5.3107 90; 99.23; 90 | 140.445 | Smith, D. K.; Newkirk, H. W. The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2 Acta Crystallographica, 1965, 18, 983-991 |
| 9007486 | CIF | Cr O4 Pb | P 1 21/n 1 | 7.12; 7.43; 6.79 90; 102.42; 90 | 350.796 | Quareni, S.; De Pieri, R. A three-dimensional refinement of the structure of crocoite, PbCrO4 Acta Crystallographica, 1965, 19, 287-289 |
| 9007487 | CIF | Al2 Be2 Ca4 H2 O28 Si9 | C m c m | 23.19; 5.005; 19.39 90; 90; 90 | 2250.52 | Cannillo, E.; Coda, A.; Fagnani, G. The crystal structure of bavenite Acta Crystallographica, 1966, 20, 301-309 |
| 9007488 | CIF | Mn O21 Pb8 Si6 | R -3 c :H | 9.821; 9.821; 38.38 90; 90; 120 | 3205.88 | Lajzerowicz, J. Etude par diffraction des rayons X et absorption infra-rouge de la barysilite, MnPb8.3Si2O7, et de composes isomorphes Acta Crystallographica, 1965, 20, 357-363 |
| 9007489 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.063; 10.522; 6.107 90; 90; 90 | 646.627 | Finney, J. J. Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O Acta Crystallographica, 1966, 21, 437-440 |
| 9007490 | CIF | C H2 Cu2 O5 | P 1 21/a 1 | 9.502; 11.974; 3.24 90; 98.75; 90 | 364.347 | Susse, P. Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3 Acta Crystallographica, 1967, 22, 146-151 |
| 9007491 | CIF | Al Ca F6 H2 Na O | P 1 21/c 1 | 5.583; 5.508; 16.127 90; 96.43; 90 | 492.804 | Cocco, G.; Castiglione, P. C.; Vagliasindi, G. The crystal structure of thomsenolite Acta Crystallographica, 1967, 23, 162-166 |
| 9007492 | CIF | Rh2 S3 | P b c n | 8.462; 5.985; 6.138 90; 90; 90 | 310.859 | Parthe, E.; Hohnke, D.; Hulliger, F. A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3 Acta Crystallographica, 1967, 23, 832-840 |
| 9007493 | CIF | Cl N | P m -3 m | 3.8771; 3.8771; 3.8771 90; 90; 90 | 58.28 | Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 31.5 C Acta Crystallographica, Section A, 1970, 26, 295-295 |
| 9007494 | CIF | Cl N | P m -3 m | 3.8822; 3.8822; 3.8822 90; 90; 90 | 58.51 | Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 54.0 C Acta Crystallographica, Section A, 1970, 26, 295-295 |
| 9007495 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.46 | Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A, 1976, 32, 587-591 |
| 9007496 | CIF | Al2 O3 | R -3 c :H | 4.7602; 4.7602; 12.9933 90; 90; 120 | 254.977 | Lewis, J.; Schwarzenbach, D.; Flack, H. D. Electric field gradients and charge density in corundum alpha-Al2O3 Acta Crystallographica, Section A, 1982, 38, 733-739 |
| 9007497 | CIF | Cu2 O | P n -3 m :1 | 4.2685; 4.2685; 4.2685 90; 90; 90 | 77.772 | Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset. Acta Crystallographica, Section A, 1990, 46, 271-284 |
| 9007498 | CIF | Al2 O3 | R -3 c :H | 4.757; 4.757; 12.9877 90; 90; 120 | 254.524 | Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Acta Crystallographica, Section A, 1990, 46, 271-284 |
| 9007499 | CIF | Ba0.4 O8 Ti4 | I 4/m | 10.12; 10.12; 2.96 90; 90; 90 | 303.147 | Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q. Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra Acta Crystallographica, Section A, 1990, 46, 929-934 |
| 9007500 | CIF | Ag3 As S3 | C 1 2/c 1 | 12; 6.26; 17.08 90; 110; 90 | 1205.67 | Engel, P.; Nowacki, W. Die kristallstruktur von Ag3AsS3 Acta Crystallographica, Section B, 1968, 24, 77-81 |
| 9007501 | CIF | Cu H6 O7 S | C 1 c 1 | 5.592; 13.029; 7.341 90; 97.05; 90 | 530.808 | Zahrobsky, R. F.; Baur, W. H. On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic Acta Crystallographica, Section B, 1968, 24, 508-513 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!