Crystallography Open Database
Search results
Result: there are 26885 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.
Searching space group like 'P 21 21 21'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1552018 | CIF | O3 Xe | P 21 21 21 | 7.6536; 3.2888; 4.5277 90; 90; 90 | 113.967 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 9012355 | CIF | Be D2 O2 | P 21 21 21 | 4.5259; 4.6314; 7.0193 90; 90; 90 | 147.133 | Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254 |
| 9012354 | CIF | Be D2 O2 | P 21 21 21 | 4.526; 4.6318; 7.0192 90; 90; 90 | 147.147 | Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254 |
| 9009796 | CIF | Be H2 O2 | P 21 21 21 | 4.62; 7.039; 4.535 90; 90; 90 | 147.479 | Seitz, A.; Rosler, U.; Schubert, K. Kristallstruktur von beta-Be(OH)2 Zeitschrift fur Anorganische und Allgemeine Chemie, 1950, 261, 94-105 |
| 9015629 | CIF | Be H2 O2 | P 21 21 21 | 4.53; 4.621; 7.048 90; 90; 90 | 147.537 | Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9014803 | CIF | Be H2 O2 | P 21 21 21 | 4.5328; 4.6252; 7.0379 90; 90; 90 | 147.55 | Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9015158 | CIF | Be D2 O2 | P 21 21 21 | 4.5336; 4.6255; 7.0384 90; 90; 90 | 147.596 | Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H. Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: Neutron diffraction Zeitschrift fur Anorganische und Allgemeine Chemie, 1998, 624, 1130-1136 |
| 9012353 | CIF | Be D2 O2 | P 21 21 21 | 4.5356; 4.6317; 7.0379 90; 90; 90 | 147.849 | Jacobs, H.; Niemann, A.; Kockelmann, W. Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 245 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254 |
| 2310819 | CIF | H3 N O | P 21 21 21 | 7.297; 4.392; 4.885 90; 90; 90 | 156.557 | Meyers, E.A.; Lipscomb, W.N. The crystal structure of hydroxylamine Acta Crystallographica (1,1948-23,1967), 1955, 8, 583-587 |
| 9014857 | CIF | H6 Mg O6 Si | P 21 21 21 | 4.976; 5.023; 7.115 90; 89.89; 90 | 177.835 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 1548796 | CIF HKL Paper | O2 Te | P 21 21 21 | 4.8809; 8.5668; 4.3433 90; 90; 90 | 181.609 | Weil, Matthias Redetermination of the γ-form of tellurium dioxide IUCrData, 2017, 2 |
| 1520934 | CIF | O2 Te | P 21 21 21 | 4.898; 8.576; 4.351 90; 90; 90 | 182.765 | Champarnaud-Mesjard, J.C.; Blanchandin, S.; Thomas, P.; Mirgorodsky, A.; Frit, B.; Merle-Mejean, T. Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide : gamma-(Te O2) Journal of Physics and Chemistry of Solids, 2000, 61, 1499-1507 |
| 1544549 | CIF | Al H3 O3 | P 21 21 21 | 5.13972; 7.2556; 5.06349 90; 90; 90 | 188.826 | Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T. The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations American Mineralogist, 2011, 96, 854-859 |
| 9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
| 5910013 | CIF | C D4 O | P 21 21 21 | 4.8728; 4.6411; 8.8671 90; 90; 90 | 200.531 | Torrie, B. H.; Weng, S.-X.; Powell, B. M. Structure of the α-phase of solid methanol Molecular Physics, 1989, 67, 575-581 |
| 1528938 | CIF | F2 Ge | P 21 21 21 | 4.682; 5.158; 8.312 90; 90; 90 | 200.733 | Trotter, J.; Akhtar, M.; Barlett, N. The crystal structure of germanium difluoride Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1966, 1966, 30-33 |
| 1530499 | CIF | F H Hg O | P 21 21 21 | 4.963; 5.92; 6.857 90; 90; 90 | 201.465 | Nozik, Yu.Z.; Fykin, L.E.; Bukin, V.I.; Laptash, N.M. Crystal structure of mercury hydroxyfluoride Hg (O H)F determined by neutron diffraction Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 276-278 |
| 4343712 | CIF | F H Hg O | P 21 21 21 | 4.963; 5.92; 6.857 90; 90; 90 | 201.465 | Grdenic, D.; Sikirica, M. Crystal structure of mercury(II) hydroxide fluoride Inorganic Chemistry, 1973, 12, 544-546 |
| 4329108 | CIF | Ag2 S | P 21 21 21 | 6.725; 4.1479; 7.2945 90; 90; 90 | 203.48 | David Santamaría-Pérez; Miriam Marqués; Raquel Chuliá-Jordán; José Manuel Menendez; Oscar Gomis; Javier Ruiz-Fuertes; Juan Antonio Sans; Daniel Errandonea; José Manuel Recio Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations Inorganic Chemistry, 2012, 51, 5289-5298 |
| 4503066 | CIF | C H4 O | P 21 21 21 | 4.6469; 4.9285; 9.0403 90; 90; 90 | 207.04 | Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland Cocrystallization with Acetylene: Molecular Complex with Methanol Crystal Growth & Design, 2008, 8, 763 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!