Crystallography Open Database
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Result: there are 192 entries in the selection
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 3500048 | CIF | F6 K2 Zr | P n m a | 10.30844; 6.02909; 23.80175 90; 90; 90 | 1479.29 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 3500049 | CIF | Ba F7 Fe Mn | C 1 2/c 1 | 13.7972; 5.3432; 14.7638 90; 90.831; 90 | 1088.29 | Armel Le Bail BaMnFeF7 fluoride glass recrystallizing at 440 C in the BaMnGaF7 structure type instead of the BaMnFeF7 type Personal communication to COD, 2016 |
| 3500050 | CIF | Ba Cu F7 Ga | C 1 2/c 1 | 10.6199; 9.8809; 5.6263 90; 118.551; 90 | 518.59 | Armel Le Bail BaCuGaF7 fluoride glass recrystallizing at 500 C in the BaCuGFeF7 structure type Personal communication to COD, 2016 |
| 3500051 | CIF | Ba F7 Ga Zn | P 1 21/c 1 | 5.4045; 10.7701; 9.0421 90; 95.021; 90 | 524.29 | Armel Le Bail BaZnGaF7 fluoride glass recrystallizing at 500 C in the BaMnFeF7 structure type Personal communication to COD, 2016 |
| 3500052 | CIF | F10 Ga2 H2 O Sr2 | C m c e | 7.79236; 19.6501; 10.6869 90; 90; 90 | 1636.39 | Armel Le Bail Sr2Ga2F10.H2O isostructural with Sr2Fe2F10.H2O Personal communication to COD, 2016 |
| 3500053 | CIF | Cr2 F10 H2 O Sr2 | C m c e | 7.773; 19.7953; 10.7228 90; 90; 90 | 1649.91 | Armel Le Bail Sr2Cr2F10.H2O isostructural with Sr2Fe2F10.H2O Personal communication to COD, 2016 |
| 3500054 | CIF | Li3 Mg2 Nb O6 | F d d d :2 | 8.55706; 5.8935; 17.7013 90; 90; 90 | 892.69 | Armel Le Bail A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182 Personal communication to COD, 2016 |
| 3500055 | CIF | Li3 Mg2 Nb O6 | F d d d :2 | 8.55816; 5.90289; 17.7437 90; 90; 90 | 896.37 | Armel Le Bail A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182 Personal communication to COD, 2016 |
| 3500056 | CIF | H12 Ni12 O38 P8 | P 63 m c | 12.4544; 12.4544; 4.94856 90; 90; 120 | 664.75 | Armel Le Bail Ni12(HPO4)6(PO4)2(OH)6 P63mc related to COD 4313804 and to COD 1000115 and dumortierite Personal communication to COD, 2016 |
| 3500057 | CIF | Al2 As2 Cs2 O9 | P -1 | 7.2333; 8.2043; 5.0263 107.246; 108.268; 95.195 | 264.92 | Lubomir Smrcok; Yvon Laligant; Armel Le Bail Cs2Al2As2O9 solved ab initio from X-ray powder diffraction data in 1998 Personal communication to COD, 2016 |
| 3500058 | CIF | Cr F13 Pb5 | P 1 21/m 1 | 8.2137; 6.0253; 12.282 90; 100.1; 90 | 598.42 | Armel Le Bail Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning) Personal communication to COD, 2016 |
| 3500059 | CIF HKL | O4 Pd S | I 1 2/m 1 | 4.9466; 4.9481; 6.1943 90; 92.8096; 90 | 151.43 | Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD, 2016 |
| 3500060 | CIF | As2 H8 Na O14 V2 | P -1 | 6.428; 6.4306; 6.9534 91.823; 107.035; 90.076 | 274.66 | Armel Le Bail Na(VO)2(AsO4)2(H20)4 isostructural with the phosphate Na(VO)2(PO4)2(H20)4 Personal communication to COD, 2016 |
| 3500061 | CIF | F5 Ga Pb | I 4/m | 14.4782; 14.4782; 7.321 90; 90; 90 | 1534.62 | Armel Le Bail Rietveld refinement of the crystal structure of PbGaF5 in the BaTiF5 structure type, I4/m Personal communication to COD, 2016 |
| 3500062 | CIF | C10 H16 N6 S | P 1 21/n 1 | 10.69885; 18.81823; 6.82475 90; 111.285; 90 | 1280.32 | Armel Le Bail Rietveld refinement of the crystal structure of cimetidine from synchrotron data Personal communication to COD, 2016 |
| 3500063 | CIF | C6 H13 Mn O8 | P 1 21/m 1 | 7.9489; 6.7664; 10.9689 90; 106.406; 90 | 565.95 | Armel Le Bail Rietveld refinement of the crystal structure of manganese(III) triacetate dihydrate from x-ray powder diffraction data Personal communication to COD, 2016 |
| 3500064 | CIF | C2 Na2 O4 | P 1 21/c 1 | 3.48379; 5.2591; 10.42762 90; 93.0959; 90 | 190.772 | Armel Le Bail Rietveld refinement of the structure of Na2C2O4 Personal communication to COD, 2017 |
| 3500065 | CIF | Cr O8 Pb5 | P 1 21/c 1 | 14.8349; 11.71072; 11.61249 90; 90.9883; 90 | 2017.11 | Armel Le Bail Rietveld refinement of the crystal structure of Pb5CrO8 from neutron powder diffraction data Personal communication to COD, 2017 |
| 3500066 | CIF HKL | C18 H11 Br O | P 1 21/n 1 | 4.4651; 13.7593; 20.7282 90; 90.857; 90 | 1273.33 | Thierry Maris Personal communication to COD, 2017 |
| 3500067 | CIF HKL | Al Cl3 H12 O6 | R -3 c | 11.8359; 11.8359; 11.8492 90; 90; 120 | 1437.55 | Maris, Thierry Personal communication to COD, 2017 |
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