Crystallography Open Database
Search results
Result: there are 3181 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 | archive of CIF files (ZIP)
Searching space group like 'P 1 21/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9005193 | CIF | Al0.05 Ca Fe2.91 H Mg0.02 Mn0.02 O9 Si2 | P 1 21/a 1 | 13.013; 8.802; 5.857 90; 90.28; 90 | 670.855 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.1 European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005194 | CIF | Al0.05 Ca1.03 Fe2.86 H Mg0.02 Mn0.01 O9 Si2 | P 1 21/a 1 | 13.008; 8.802; 5.855 90; 90.27; 90 | 670.369 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Seriphos X-3.2 European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005195 | CIF | Al0.01 Ca0.9 Fe2.48 H Mg0.02 Mn0.58 O9 Si2 | P 1 21/a 1 | 12.993; 8.825; 5.846 90; 90.03; 90 | 670.321 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-2.3 European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005196 | CIF | Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 | P 1 21/a 1 | 13.006; 8.842; 5.844 90; 90.19; 90 | 672.051 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.3 European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005197 | CIF | Al0.01 Ca0.96 Fe2.45 H Mg0.01 Mn0.56 O9 Si2 | P 1 21/a 1 | 13.009; 8.838; 5.843 90; 90.16; 90 | 671.788 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Oridda X-3.4 Note: O(2,1) y-coordinate changed in order to match reported bond lengths European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005198 | CIF | Al0.04 Ca Fe2.85 H Mg0.03 Mn0.08 O9 Si2 | P 1 21/a 1 | 13.012; 8.809; 5.849 90; 90.02; 90 | 670.428 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Rio Marina X European Journal of Mineralogy, 1994, 6, 465-479 |
| 9005583 | CIF | Cu4 H6 O10 S | P 1 21/a 1 | 13.14; 9.863; 6.024 90; 103.16; 90 | 760.206 | Merlino, S.; Perchiazzi, N.; Franco, D. Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures Sample: MDO_1 polytype European Journal of Mineralogy, 2003, 15, 267-275 |
| 9005690 | CIF | B6 Ca H8 O14 | P 1 21/a 1 | 14.58; 8.024; 9.8486 90; 111.801; 90 | 1069.78 | Karanovic, L.; Rosic, A.; Poleti, D. Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite European Journal of Mineralogy, 2004, 16, 825-833 |
| 9005692 | CIF | Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 | P 1 21/a 1 | 10.919; 10.485; 7.485 90; 109.55; 90 | 807.524 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy European Journal of Mineralogy, 2004, 16, 957-969 |
| 9005770 | CIF | Ni3 O8 P2 | P 1 21/a 1 | 10.108; 4.698; 5.831 90; 91.12; 90 | 276.846 | Nord, A. G.; Stefanidis, T. Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni3(PO4)2 Physics and Chemistry of Minerals, 1983, 10, 10-15 |
| 9005771 | CIF | Mg0.8 Ni2.2 O8 P2 | P 1 21/a 1 | 10.122; 4.7; 5.838 90; 91.11; 90 | 277.681 | Nord, A. G.; Stefanidis, T. Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-1a Physics and Chemistry of Minerals, 1983, 10, 10-15 |
| 9005772 | CIF | Mg1.2 Ni1.8 O8 P2 | P 1 21/a 1 | 10.154; 4.706; 5.87 90; 90.83; 90 | 280.467 | Nord, A. G.; Stefanidis, T. Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-2b Physics and Chemistry of Minerals, 1983, 10, 10-15 |
| 9005773 | CIF | Mg1.64 Ni1.36 O8 P2 | P 1 21/a 1 | 10.177; 4.713; 5.889 90; 90.74; 90 | 282.438 | Nord, A. G.; Stefanidis, T. Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-3c Physics and Chemistry of Minerals, 1983, 10, 10-15 |
| 9005778 | CIF | Ca O3 Si | P 1 21/a 1 | 15.424; 7.324; 7.0692 90; 95.371; 90 | 795.069 | Ohashi, Y. Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M Physics and Chemistry of Minerals, 1984, 10, 217-229 |
| 9005779 | CIF | Ca Fe2.925 H Mn0.075 O9 Si2 | P 1 21/a 1 | 13.0229; 8.7977; 5.8428 90; 90.234; 90 | 669.413 | Ghose, S.; Hewat, A. W.; Marezio, M. A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 5 K Physics and Chemistry of Minerals, 1984, 11, 67-74 |
| 9005780 | CIF | Ca Fe2.825 H Mn0.175 O9 Si2 | P 1 21/a 1 | 13.023; 8.7994; 5.8422 90; 90.231; 90 | 669.479 | Ghose, S.; Hewat, A. W.; Marezio, M. A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 80 K Physics and Chemistry of Minerals, 1984, 11, 67-74 |
| 9005781 | CIF | Ca Fe2.8 H Mn0.2 O9 Si2 | P 1 21/a 1 | 13.0244; 8.8006; 5.8445 90; 90.233; 90 | 669.906 | Ghose, S.; Hewat, A. W.; Marezio, M. A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 150 K Physics and Chemistry of Minerals, 1984, 11, 67-74 |
| 9005782 | CIF | Ca Fe2.75 H Mn0.25 O9 Si2 | P 1 21/a 1 | 13.0207; 8.8121; 5.8609 90; 90.249; 90 | 672.472 | Ghose, S.; Hewat, A. W.; Marezio, M. A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 305 K Physics and Chemistry of Minerals, 1984, 11, 67-74 |
| 9005871 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.0387; 8.8204; 5.864 90; 90.266; 90 | 674.391 | Ghose, S.; Tsukimura, K.; Hatch, D. M. Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 295 K Physics and Chemistry of Minerals, 1989, 16, 483-496 |
| 9005872 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.0398; 8.8217; 5.8644 90; 90.244; 90 | 674.595 | Ghose, S.; Tsukimura, K.; Hatch, D. M. Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 320 K Physics and Chemistry of Minerals, 1989, 16, 483-496 |
| 9005873 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.0466; 8.8268; 5.8647 90; 90.124; 90 | 675.376 | Ghose, S.; Tsukimura, K.; Hatch, D. M. Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 340 K Physics and Chemistry of Minerals, 1989, 16, 483-496 |
| 9005874 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.0497; 8.8291; 5.8652 90; 90.029; 90 | 675.771 | Ghose, S.; Tsukimura, K.; Hatch, D. M. Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 360 K Physics and Chemistry of Minerals, 1989, 16, 483-496 |
| 9005921 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0722; 8.7302; 6.5672 90; 113.84; 90 | 370.875 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 294 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 9005922 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0746; 8.7373; 6.5723 90; 113.811; 90 | 371.674 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 350 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 9005923 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.073; 8.7374; 6.5716 90; 113.804; 90 | 371.574 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 400 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 9005924 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0715; 8.7365; 6.5717 90; 113.788; 90 | 371.509 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 430 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 9005925 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0701; 8.7405; 6.5747 90; 113.773; 90 | 371.818 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 440 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 9005926 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0706; 8.7416; 6.5751 90; 113.768; 90 | 371.928 | Ghose, S.; Ito, Y.; Hatch, D. M. Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 450 K Physics and Chemistry of Minerals, 1991, 17, 591-603 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 9007579 | CIF | As S3 Sb | P 1 21/a 1 | 11.8568; 9.0152; 10.1938 90; 116.365; 90 | 976.29 | Guillermo, T. R.; Wuensch, B. J. The crystal structure of getchellite, AsSbS3 Acta Crystallographica, Section B, 1973, 29, 2536-2541 |
| 9007617 | CIF | O4 Pb W | P 1 21/a 1 | 13.555; 4.976; 5.561 90; 107.63; 90 | 357.471 | Fujita, T.; Kawada, I.; Kato, K. Raspite from Broken Hill Acta Crystallographica, Section B, 1977, 33, 162-164 |
| 9007641 | CIF | H42 Mg9 Mn1.882 O42 S2 Zn4 | P 1 21/a 1 | 11.147; 20.35; 8.202 90; 92.69; 90 | 1858.5 | Hill, R. J. The structure of mooreite Note: Isotropic and anisotropic displacement factors taken from ICSD Acta Crystallographica, Section B, 1980, 36, 1304-1311 |
| 9007777 | CIF | C3 H8 Ag Ba O9 P | P 1 21/a 1 | 6.578; 23.811; 6.61 90; 90.57; 90 | 1035.27 | Weichsel, A.; Lis, T. Structure of silver(I) barium phosphoenolpyruvate trihydrate Acta Crystallographica, Section C, 1990, 46, 962-965 |
| 9007805 | CIF | Cu H4 O6 P2 | P 1 21/a 1 | 7.4748; 9.9406; 7.5175 90; 99.722; 90 | 550.558 | Sghyar, P. M.; Durand, J.; Cot, L.; Rafiq, M. Structure de Cu(HPO3H)2 Acta Crystallographica, Section C, 1990, 46, 1378-1381 |
| 9007954 | CIF | Fe1.839 H Mg0.161 O5 P | P 1 21/a 1 | 12.274; 13.169; 9.754 90; 108.64; 90 | 1493.9 | Kolitsch, U. Mg-rich wolfeite, (Fe,Mg)2(PO4)(OH): structure refinement and Raman spectroscopic data Acta Crystallographica, Section E, 2003, 59, i125-i128 |
| 9008072 | CIF | Fe Pb4 S14 Sb6 | P 1 21/a 1 | 15.57; 18.98; 4.03 90; 91.8; 90 | 1190.35 | Niizeki, N.; Buerger, M. J. The crystal structure of jamesonite, FePb4Sb6S14 Zeitschrift fur Kristallographie, 1957, 109, 161-183 |
| 9008073 | CIF | Ag Pb S3 Sb | P 1 21/a 1 | 7.53; 12.79; 5.95 90; 92.23; 90 | 572.603 | Hellner, E. Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des freieslebenits, PbAgSbS3 Zeitschrift fur Kristallographie, 1957, 109, 284-295 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!