Crystallography Open Database
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Searching space group like 'A 1 2/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4504081 | CIF | C38 H38 N8 O6 | A 1 2/a 1 | 19.704; 7.299; 25.698 90; 108.3; 90 | 3509 | Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions Crystal Growth & Design, 2007, 7, 741 |
| 4505350 | CIF | C6 H13 Cl2 Cu Hg N5 | A 1 2/a 1 | 15.7274; 8.6102; 19.2642 90; 97.735; 90 | 2584.9 | Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations Crystal Growth & Design, 2004, 4, 621 |
| 7152363 | CIF | C57 H66 O6 | A 1 2/a 1 | 27.9648; 9.851; 34.664 90; 101.179; 90 | 9368.1 | Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine. Organic & biomolecular chemistry, 2012, 10, 4618-4626 |
| 7204034 | CIF | C12 H8 N1.5 S4 Se4 | A 1 2/a 1 | 11.482; 8.33; 35.04 90; 94.87; 90 | 3339 | Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao First-order phase transition in the organic metal κ-(BETS)2C(CN)3 Journal of Materials Chemistry, 2001, 11, 332 |
| 7221393 | CIF | N2 O2 S3 | A 1 2/a 1 | 6.84; 4.56; 16.51999 90; 97; 90 | 511.424 | Weiss, J. Die Kristall- und Molekuelstruktur von Trischwefel Distickstoffdioxyd, S3 N2 O2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1961, 16, 477-477 |
| 7702490 | CIF | C35 H34 B2 Cu F8 N8 O | A 1 2/a 1 | 15.8308; 10.8103; 22.99 90; 111.259; 90 | 3666.7 | Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C. Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives † Journal of the Chemical Society, Dalton Transactions, 2001, 736 |
| 7703829 | CIF | C12 H10 Co0.57 Fe0.43 K N10 | A 1 2/a 1 | 15.089; 8.773; 13.454 90; 111.74; 90 | 1654.3 | Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>]. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5503-5512 |
| 9000829 | CIF | Al Ca F2 Fe14 K Na4 O48 P12 | A 1 2/a 1 | 24.692; 10.031; 16.453 90; 105.78; 90 | 3921.59 | Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NM American Mineralogist, 1981, 66, 1034-1049 |
| 9000830 | CIF | Al Ca F2 Fe14 K Na4 O48 P12 | A 1 2/a 1 | 24.73; 10.057; 16.526 90; 105.78; 90 | 3955.27 | Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: Crystal structure and crystal chemistry sample NP American Mineralogist, 1981, 66, 1034-1049 |
| 9000831 | CIF | Al Ca F2 Fe14 K Na4 O48 P12 | A 1 2/a 1 | 24.94; 10.131; 16.722 90; 105.6; 90 | 4069.46 | Moore, P. B.; Araki, T.; Merlino, S.; Mellini, M.; Zanazzi, P. F. The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: crystal structure and crystal chemistry sample BR American Mineralogist, 1981, 66, 1034-1049 |
| 9000923 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.05; 8.681; 6.539 90; 113.9; 90 | 365.879 | Hollabaugh, C. L.; Foit, F. F. The crystal structure of an Al-rich titanite from Grisons, Switzerland American Mineralogist, 1984, 69, 725-732 |
| 9001256 | CIF | C2 H10 O16 Zn7 | A 1 2/a 1 | 16.11; 5.432; 15.041 90; 95.49; 90 | 1310.19 | Grice, J. D.; Dunn, P. J. Sclarite, a new mineral from Franklin, New Jersey, with essential octahedrally and tetrahedrally coordinated zinc: Description and structure refinement American Mineralogist, 1989, 74, 1355-1359 |
| 9001320 | CIF | F2 O4 Pb2 S | A 1 2/a 1 | 8.667; 4.4419; 14.242 90; 107.418; 90 | 523.147 | Kampf, A. R. Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide oxide sulfates, Ln2O2SO4 American Mineralogist, 1991, 76, 278-282 |
| 9001736 | CIF | Ca O5 Si Sn | A 1 2/a 1 | 7.1535; 8.8933; 6.6674 90; 113.342; 90 | 389.453 | Groat, L. A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H. G.; Meyer, H.; Nistor, L.; Van Tendeloo, G. A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5 American Mineralogist, 1996, 81, 595-602 |
| 9001794 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.8912; 8.6234; 6.4065 90; 113.057; 90 | 350.297 | Kunz, M.; Xirouchakis, D.; Lindsley, D. H.; Hausermann, D. High-pressure phase transition in titanite (CaTiOSiO4) Sample: at 6.95 GPa Note: this is a not titanite but instead is a high-pressure polymorph of Ca, transfomred by pressure acting on titanite American Mineralogist, 1996, 81, 1527-1530 |
| 9001842 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.0425; 8.7155; 6.5376 90; 113.629; 90 | 367.628 | Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: natural American Mineralogist, 1997, 82, 512-516 |
| 9001843 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.0348; 8.7119; 6.5498 90; 113.712; 90 | 367.526 | Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: La-Al American Mineralogist, 1997, 82, 512-516 |
| 9001844 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.028; 8.7025; 6.5434 90; 113.681; 90 | 366.502 | Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al American Mineralogist, 1997, 82, 512-516 |
| 9001969 | CIF | Al0.26 Ca O5 Si Ti0.74 | A 1 2/a 1 | 7.0469; 8.6901; 6.5372 90; 113.944; 90 | 365.876 | Chrosch, J.; Colombo, M.; Malcherek, T.; Salje, E. K. H.; Groat, L. A.; Bismayer, U. Thermal annealing behaviour of radiation damaged titanite Sample is heated Cardiff titanite, 1123 K for 3 days American Mineralogist, 1998, 83, 1083-1091 |
| 9002205 | CIF | Al Ca F O4 Si | A 1 2/a 1 | 6.9149; 8.5064; 6.4384 90; 114.684; 90 | 344.108 | Troitzsch, U.; Ellis, D. J. The synthesis and crystal structure of CaAlFSiO4, the Al-F analog of titanite American Mineralogist, 1999, 84, 1162-1169 |
| 9002441 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.0246; 8.7037; 6.5329 90; 113.619; 90 | 365.962 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #007 at P = 1.70 GPa, T = 627 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002444 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.0169; 8.6981; 6.5264 90; 113.603; 90 | 365.007 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #010 at P = 1.84 GPa, T = 581 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002445 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 7.0158; 8.6986; 6.5257 90; 113.592; 90 | 364.962 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #011 at P = 1.88 GPa, T = 560 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002446 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9915; 8.6881; 6.5068 90; 113.492; 90 | 362.482 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #012 at P = 2.87 GPa, T = 666 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002447 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9754; 8.6723; 6.4885 90; 113.443; 90 | 360.108 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #013 at P = 3.25 GPa, T = 538 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002448 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9749; 8.6726; 6.4885 90; 113.466; 90 | 360.032 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #014 at P = 3.19 GPa, T = 490 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002449 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9736; 8.6716; 6.4889 90; 113.487; 90 | 359.889 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #015 at P = 3.13 GPa, T = 448 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002450 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9786; 8.6726; 6.491 90; 113.491; 90 | 360.294 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #016 at P = 2.88 GPa, T = 371 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002452 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9737; 8.676; 6.4902 90; 113.434; 90 | 360.293 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #018 at P = 3.56 GPa, T = 658 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002453 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9656; 8.6709; 6.4816 90; 113.399; 90 | 359.281 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #019 at P = 3.97 GPa, T = 659 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002454 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.956; 8.6644; 6.4713 90; 113.358; 90 | 358.058 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #020 at P = 4.29 GPa, T = 618 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002455 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9529; 8.661; 6.4677 90; 113.347; 90 | 357.589 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #021 at P = 4.26 GPa, T = 568 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002456 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.954; 8.6603; 6.4674 90; 113.348; 90 | 357.597 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #022 at P = 4.11 GPa, T = 525 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002457 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9527; 8.6576; 6.4666 90; 113.349; 90 | 357.372 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #023 at P = 4.10 GPa, T = 483 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002458 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9543; 8.6586; 6.4707 90; 113.38; 90 | 357.639 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #024 at P = 3.86 GPa, T = 399 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002459 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9559; 8.6586; 6.4672 90; 113.376; 90 | 357.538 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #025 at P = 3.63 GPa, T = 301 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002460 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9496; 8.6605; 6.4654 90; 113.342; 90 | 357.285 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #026 at P = 4.67 GPa, T = 658 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002461 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9413; 8.6549; 6.457 90; 113.317; 90 | 356.231 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #027 at P = 4.93 GPa, T = 609 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002462 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.941; 8.6539; 6.4559 90; 113.333; 90 | 356.071 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #028 at P = 4.88 GPa, T = 568 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002463 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9409; 8.6532; 6.4551 90; 113.331; 90 | 355.998 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #029 at P = 4.80 GPa, T = 522 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002464 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9395; 8.6529; 6.455 90; 113.338; 90 | 355.89 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #030 at P = 4.75 GPa, T = 469 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002465 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9385; 8.6498; 6.4533 90; 113.348; 90 | 355.591 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #031 at P = 4.61 GPa, T = 396 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002466 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9399; 8.6524; 6.4547 90; 113.352; 90 | 355.836 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #032 at P = 4.45 GPa, T = 338 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002467 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9414; 8.6521; 6.4553 90; 113.357; 90 | 355.92 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #033 at P = 4.36 GPa, T = 301 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002468 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9443; 8.6582; 6.4621 90; 113.327; 90 | 356.776 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #034 at P = 4.89 GPa, T = 656 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002469 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9534; 8.6641; 6.473 90; 113.361; 90 | 357.998 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #035 at P = 4.34 GPa, T = 660 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002470 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9664; 8.6728; 6.4846 90; 113.4; 90 | 359.565 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #036 at P = 3.79 GPa, T = 662 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002471 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9915; 8.6881; 6.5068 90; 113.492; 90 | 362.482 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #037 at P = 2.87 GPa, T = 666 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002472 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9926; 8.6872; 6.5068 90; 113.494; 90 | 362.496 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #038 at P = 2.74 GPa, T = 619 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002473 | CIF | Ca O5 Si Ti | A 1 2/a 1 | 6.9915; 8.6849; 6.5051 90; 113.497; 90 | 362.24 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #039 at P = 2.65 GPa, T = 576 K American Mineralogist, 2000, 85, 1465-1473 |
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