Crystallography Open Database
Search results
Result: there are 192 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Searching journal of publication like 'unpublished'
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 |
| 3500068 | CIF HKL | C8 H10 O2 | C 1 2/c 1 | 15.0049; 7.5241; 13.8287 90; 117.323; 90 | 1387.06 | Thierry Maris Personal communication to COD, 2017 |
| 3500069 | CIF HKL | C12 H32 Cl2 N2 O | P 1 2/c 1 | 15.1054; 5.0745; 10.7172 90; 91.721; 90 | 821.13 | Thierry Maris Personal communication to COD, 2017 |
| 3500070 | CIF HKL | C5 H4 Br N O | C 1 2/c 1 | 13.1602; 9.0351; 11.5554 90; 121.185; 90 | 1175.44 | Thierry Maris Personal communication to COD, 2017 |
| 3500071 | CIF HKL | C7 H3 N3 | I 1 2/a 1 | 7.4485; 6.1845; 13.4791 90; 95.757; 90 | 617.79 | Thierry Maris Personal communication to COD, 2017 |
| 3500072 | CIF HKL | C18 H12 B3 F3 O3 | P 1 21/m 1 | 3.8295; 20.8392; 10.4262 90; 97.142; 90 | 825.59 | Thierry Maris 2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane Personal communication to COD, 2019 |
| 3500073 | CIF | H46 Mn2 Mo12 O63 Si | P -1 | 13.379; 13.929; 15.311 80.61; 71.99; 71.82 | 2571 | Olmstead, Marilyn Personal communication to COD, 2017 |
| 3500074 | CIF HKL | C12 H26 N8 O10 Pt | P -1 | 7.389; 7.442; 10.975 71.73; 78.2; 74.3 | 547 | Jorge A. R. Navarro; Miguel Quirós trans-diamminediaquaplatinum(II) nitrate ‒ 2-oxo-1H-pyrimidine 1:2 Personal communication to COD, 2018 |
| 3500075 | CIF HKL | C7 H9 N3 O3 | P 1 21/n 1 | 8.9021; 9.6475; 9.567 90; 107.713; 90 | 782.69 | Miguel N. Moreno-Carretero Personal communication to COD, 2018 |
| 3500076 | CIF | C6 H14 N4 | C 1 2/m 1 | 5.2771; 15.911; 4.6211 90; 108.58; 90 | 367.78 | Maldonado, Ana L.; Flores-Alamo, Marcos ? Personal communication to COD, 2018 |
| 3500077 | CIF | Al H4 O6 P | P 1 21/n 1 | 9.627; 9.587; 9.569 90; 103.6; 90 | 858.399 | Ismael Jimenez Calvo Personal communication to COD, 2019 |
| 3500079 | CIF | C40 H84 Br N | C 1 2/c 1 | 13.5933; 13.7213; 44.838 90; 90.119; 90 | 8363.1 | Thierry Maris Tetradecylammonium Bromide Personal communication to COD, 2019 |
| 3500080 | CIF HKL | C12 H28 Br N | I -4 | 8.2048; 8.2048; 10.7389 90; 90; 90 | 722.93 | Thierry Maris Tetrapropylammonium Bromide Personal communication to COD, 2019 |
| 3500081 | CIF HKL | C16 H36 Br N | C 1 2/c 1 | 13.9825; 13.8659; 20.0516 90; 110.348; 90 | 3645.01 | Thierry Maris Tetrabutylammonium Bromide Personal communication to COD, 2019 |
| 3500082 | CIF HKL | C20 H44 Br N | C c c a :2 | 10.5034; 22.9748; 9.2342 90; 90; 90 | 2228.3 | Thierry Maris Tetrapentylammonium Bromide Personal communication to COD, 2019 |
| 3500083 | CIF HKL | C24 H52 I N | A e a 2 | 10.0773; 10.0124; 26.219 90; 90; 90 | 2645.4 | Thierry Maris Tetrahexylammonium Iodide Personal communication to COD, 2019 |
| 3500084 | CIF HKL | C28 H60 Br N | A e a 2 | 9.787; 9.7825; 31.3951 90; 90; 90 | 3005.8 | Thierry Maris Tetraheptylammonium bromide Personal communication to COD, 2019 |
| 3500085 | CIF HKL | C32 H68 Br N | P -4 b 2 | 9.7042; 9.7042; 18.6896 90; 90; 90 | 1760.03 | Thierry Maris Tetraoctylammonium bromide Personal communication to COD, 2019 |
| 3500086 | CIF HKL | C4 H12 Br N | P 4/n m m :2 | 7.659; 7.659; 5.4566 90; 90; 90 | 320.09 | Thierry Maris Tetramethylammonium bromide Personal communication to COD, 2019 |
| 3500087 | CIF HKL | C8 H20 Br N | R -3 c :H | 12.0127; 12.0127; 35.1627 90; 90; 120 | 4394.34 | Thierry Maris Tetraethylammonium Bromide Personal communication to COD, 2019 |
| 3500088 | CIF HKL | C21 H37 B O | P 21 21 21 | 8.6614; 9.6467; 23.5332 90; 90; 90 | 1966.29 | Thierry Maris methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate Personal communication to COD, 2020 |
| 3500089 | CIF HKL | C7 H7 I O | P c a 21 | 6.2275; 7.2083; 16.8213 90; 90; 90 | 755.1 | Thierry Maris 1-iodo-4-methoxybenzene Personal communication to COD, 2020 |
| 3500090 | CIF HKL | C9 H11 B O4 | P 1 21/c 1 | 8.3595; 21.821; 10.8558 90; 92.71; 90 | 1978.02 | Thierry Maris (4-(ethoxycarbonyl)phenyl)boronic acid Personal communication to COD, 2020 |
| 3500091 | CIF HKL | C11 H14 N2 O6 | P b c a | 16.9583; 6.7846; 20.6053 90; 90; 90 | 2370.75 | Thierry Maris benzoic acid 3,5-dicarboxylate ethylenediammonium Personal communication to COD, 2020 |
| 3500092 | CIF HKL | C17 H26 N4 O9 S | P 1 21/n 1 | 9.7597; 16.5287; 13.0405 90; 97.776; 90 | 2084.29 | Thierry Maris benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide' Personal communication to COD, 2020 |
| 3500093 | CIF HKL | C19 H34 Br N | P -1 | 11.5313; 13.1325; 14.2336 82.52; 67.38; 80.662 | 1957.8 | Thierry Maris Tributylbenzylammonium bromide Personal communication to COD, 2020 |
| 3500094 | CIF HKL | C10 H12 O4 | P 1 21/c 1 | 12.1064; 7.0963; 11.6561 90; 109.926; 90 | 941.43 | Thierry Maris 2,3,4-trimethoxybenzaldehyde Personal communication to COD, 2020 |
| 3500095 | CIF HKL | C24 H32 O6 | P 41 21 2 | 9.1629; 9.1629; 50.2545 90; 90; 90 | 4219.3 | Thierry Maris Desonide Personal communication to COD, 2020 |
| 3500096 | CIF HKL | C6 H6 B N O4 | P 1 21/c 1 | 8.1432; 7.6307; 12.1977 90; 104.147; 90 | 734.96 | Thierry Maris 3(nitrophenyl)boronic acid Personal communication to COD, 2020 |
| 3500097 | CIF HKL | C9 H10 O3 | P 1 21/c 1 | 11.6577; 13.1592; 11.534 90; 109.098; 90 | 1672 | Thierry Maris Ethyl p-hydroxybenzoate Personal communication to COD, 2020 |
| 3500098 | CIF HKL | C6 H8 O6 | P 1 21 1 | 6.5747; 7.4299; 6.7388 90; 93.33; 90 | 328.63 | Thierry Maris beta-D-Glucurono-1,4-lactone Personal communication to COD, 2020 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!