Crystallography Open Database
Search results
Result: there are 26946 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 |
|---|---|---|---|---|---|---|
| 8107344 | CIF | C28 H41 N O | P 21 21 21 | 10.5758; 12.3659; 18.0301 90; 90; 90 | 2358 | Huang, Hua; Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 31-33 |
| 8107357 | CIF | C26 H41 N O8 | P 21 21 21 | 8.2437; 13.1867; 22.849 90; 90; 90 | 2483.85 | Liu, Huan-Ni; Hao, Yi-Kun; Chen, Neng-Hua; Li, Lai-Ming Crystal structure of 14-O-acetyldelcosine, C26H41NO8 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 75-77 |
| 8107390 | CIF | C16 H14 Cl2 O5 | P 21 21 21 | 23.2297; 16.3509; 8.73 90; 90; 90 | 3315.89 | Zhang, Meng; Bai, Yu-Bin The crystal structure of (2R,6′R)-2′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-2′-ene-3,4′-dione, C16H14Cl2O5 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 185-187 |
| 8107391 | CIF | C28 H41 N O2 | P 21 21 21 | 10.448; 12.4188; 18.3905 90; 90; 90 | 2386.2 | Zhang, Wen-Wen; Ye, Jiang-Hai; Huang, Hua; Zou, Juan; He, Kang Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C28H41NO2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 189-191 |
| 8107393 | CIF | C26 H44 O11 | P 21 21 21 | 22.6816; 7.3911; 15.6072 90; 90; 90 | 2616.4 | Wang, Lei; Li, Guang-Jie; Ye, Jiang-Hai; He, Kang; Zou, Juan Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C26H40O9 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 197-199 |
| 8107419 | CIF | C22 H16 Cr F6 N6 P | P 21 21 21 | 11.3511; 12.135; 17.382 90; 90; 90 | 2394.3 | Zhuo, Linhai; Zhang, Jinjun The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k2 N,N′-chromium(III) hexafluorophosphate, C22H16N6F6PCr Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 289-291 |
| 8107426 | CIF | C30 H40 O5 | P 21 21 21 | 6.5012; 15.3297; 26.8138 90; 90; 90 | 2672.3 | Ye, Jiang-Hai; Chen, Ren-Song; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C30H40O5 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 313-315 |
| 8107431 | CIF | C30 H36 F2 N6 O9 S | P 21 21 21 | 5.2364; 10.025; 59.689 90; 90; 90 | 3133.4 | Xia, Ying-Fan; Lu, Rong-Bin; Sun, Wei-Jie; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C30H36F2N6O9S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 331-333 |
| 8107437 | CIF | C24 H30 O7 | P 21 21 21 | 11.4194; 13.4657; 14.7549 90; 90; 90 | 2268.86 | Chen, Ren-Song; Ye, Jiang-Hai; Luo, Yu-Ling; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C24H30O7 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 349-351 |
| 8107441 | CIF | C16 H13 N3 O | P 21 21 21 | 7.6087; 9.6681; 18.66 90; 90; 90 | 1372.66 | Cui, Beibei; Mi, Xia; Zhang, Jingyu Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 361-362 |
| 8107453 | CIF | C20 H30 N4 O3 S | P 21 21 21 | 7.7152; 10.6132; 25.599 90; 90; 90 | 2096.12 | Al-Sanea, Mohammad M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Mohamed, Ahmed A. B.; Tiekink, Edward R. T.; El-Emam, Ali A. Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 403-405 |
| 8107458 | CIF | C14 H11 Cl3 N2 O | P 21 21 21 | 8.36; 12.0085; 14.3665 90; 90; 90 | 1442.27 | Li, Yingju; Yang, Zhimao The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 421-423 |
| 8107482 | CIF | C20 H26 O5 | P 21 21 21 | 7.5455; 12.735; 18.333 90; 90; 90 | 1761.7 | Zhang, Lu; Yuan, Hang; Ye, Jiang-Hai; He, Kang; Lai, Chun-Hua; Zou, Juan Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 513-515 |
| 8107491 | CIF | C14 H19 Cl N2 O | P 21 21 21 | 8.9579; 12.2172; 12.5669 90; 90; 90 | 1375.33 | Li, Yuanci; Feng, Zhiqiang; Tong, Hongjuan The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 547-549 |
| 8107539 | CIF | C18 H10 O2 | P 21 21 21 | 3.9566; 12.2859; 24.5014 90; 90; 90 | 1191.02 | Zheng, Xiaoxin; Jiang, Jinke; Liu, Yang Crystal structure of tetracene-5,12-dione, C18H10O2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 717-718 |
| 8107542 | CIF | C13 H18 N2 O4 S | P 21 21 21 | 6.8619; 12.0735; 16.6591 90; 90; 90 | 1380.16 | Wang, Zhen; Zhao, Feng-Lan; Hou, Gui-Ge; Meng, Qing-Guo Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 725-727 |
| 8107545 | CIF | C23 H34 O5 | P 21 21 21 | 11.1838; 11.7824; 16.316 90; 90; 90 | 2149.99 | Li, Shi-Qing; Zhou, Jian; Dong, Zhang-Chao; Pan, Bo Wen; Shi, Yang; Zhou, Ying Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 735-737 |
| 8107563 | CIF | C36 H36 N2 O | P 21 21 21 | 11.849; 14.373; 17.183 90; 90; 90 | 2926.4 | Chen, Zhen; Sun, Yanwen; Chen, Chao; Xu, Nuo; Wang, Xiaozhong; Li, Sijun The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 791-793 |
| 8107582 | CIF | C16 H12 F3 N O | P 21 21 21 | 6.9928; 8.9764; 21.216 90; 90; 90 | 1331.7 | Pu, Xuewei; Meng, Fanjie; Zhang, Shaoliang The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 857-859 |
| 8107584 | CIF | C10 H9 Br N2 | P 21 21 21 | 5.907; 9.2731; 17.5641 90; 90; 90 | 962.09 | Kočović, David; Mugoša, Snežana; Shova, Sergiu; Tomić, Zoran D.; Jaćimović, Željko K. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 863-865 |
| 8107606 | CIF | C28 H36 F N O2 | P 21 21 21 | 6.3277; 11.9665; 32.2419 90; 90; 90 | 2441.4 | Yue, Lan; Wei, Peng; Ye, Jiang-Hei; He, Kang; Zou, Juan Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 941-943 |
| 8107613 | CIF | C63 H94 B2 Ge N8 | P 21 21 21 | 17.175; 19.1188; 19.4359 90; 90; 90 | 6382.1 | Wang, Bing; Hu, Yi-Fei; Wu, Di Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l 2-germenediamine, C63H94B2GeN8 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 965-968 |
| 8107623 | CIF | C11 H19 N7 O9 | P 21 21 21 | 6.2578; 15.4188; 17.6841 90; 90; 90 | 1706.3 | Guannan, Zhao; Tong, Zhang; Jun, Chen; Hongxia, Pan; LiZhen, Chen; Jianlong, Wang The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1001-1003 |
| 8107658 | CIF | C12 H14 Li N O5 | P 21 21 21 | 5.1481; 8.9342; 25.733 90; 90; 90 | 1183.57 | Yin, Dejing; Wang, Lingling; Yuan, Zhenbo Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1055-1056 |
| 8107681 | CIF | C12 H10 N4 O4 Zn | P 21 21 21 | 7.6139; 12.489; 13.9382 90; 90; 90 | 1325.4 | Liu, Fang-Fang; Ping, Zhao-Yan; Zhou, Wei-Wei; Zhao, Wang The crystal structure of poly[bis(μ 2−3−aminopyridine−4−carboxylato−κ 2 N:O)Zinc(II)], [Zn(C6H5N2O2)2] n Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1131-1132 |
| 8107703 | CIF | C16 H15 F N2 O2 | P 21 21 21 | 7.2516; 11.378; 17.1177 90; 90; 90 | 1412.36 | Wen, Juanjuan; Liu, Langlang; Tang, Wenqiang; Liu, Bin The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1205-1207 |
| 8107705 | CIF | C14 H10 Br N S | P 21 21 21 | 5.6392; 7.793; 28.2476 90; 90; 90 | 1241.38 | Wang, Ning; Guo, Ya-Fei; Ma, Jun-Ying; Liu, Ming-Ming; Qu, Yu-Long Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1211-1213 |
| 8107712 | CIF | C36 H52 F N O3 | P 21 21 21 | 7.8101; 13.1592; 30.5721 90; 90; 90 | 3142 | Liu, Zi-Yu; Wang, Wen-Shui; Jiang, Sheng; Zhao, Feng-Lan; Meng, Qing-Guo Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1237-1239 |
| 8107715 | CIF | C8 H6 Br2 O | P 21 21 21 | 4.0853; 9.6025; 21.989 90; 90; 90 | 862.61 | Hosten, Eric C.; Betz, Richard Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 59-60 |
| 8107717 | CIF | C19 H15 Br2 Cl O | P 21 21 21 | 4.501; 16.229; 24.2 90; 90; 90 | 1767.7 | Li, Shi-Hui; Zhao, Yan; Zhang, Meng-Yin Crystal structure of 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-ptolyl- furan, C19H15Br2ClO Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 63-64 |
| 9000041 | CIF | C4 Br N2 O4 | P 21 21 21 | 8.21; 18.42; 5.4 90; 90; 90 | 816.632 | Barney, E. The structure of diglycine hydrobromide American Mineralogist, 1947, 32, 685-685 |
| 9000249 | CIF | As2 H4 Mn5 O12 | P 21 21 21 | 18.29; 5.75; 9.31 90; 90; 90 | 979.109 | Moore, P. B.; Molin-Case J Crystal chemistry of the basic manganese arsenates: V. Mixed manganese coordination in the atomic arrangement of arsenoclasite American Mineralogist, 1971, 56, 1539-1552 |
| 9000252 | CIF | Ag2 Se | P 21 21 21 | 4.333; 7.062; 7.764 90; 90; 90 | 237.576 | Wiegers, G. A. The crystal structure of the low-temperature form of silver selenide American Mineralogist, 1971, 56, 1882-1888 |
| 9000514 | CIF | Al Ca H O5 Si | P 21 21 21 | 7.055; 8.542; 5.683 90; 90; 90 | 342.479 | McNear, E.; Vincent, M. G.; Parthe, E. The crystal structure of vuagnatite, CaAl(OH)SiO4 American Mineralogist, 1976, 61, 831-838 |
| 9001490 | CIF | Cu H4 O5 Se | P 21 21 21 | 6.674; 9.161; 7.398 90; 90; 90 | 452.318 | Robinson, P. D.; Sen Gupta, P. K.; Swihart, G. H.; Houk, L. Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite, Cu(H2O)2[SeO3] American Mineralogist, 1992, 77, 834-838 |
| 9001875 | CIF | Ca H Mn O5 Si | P 21 21 21 | 5.837; 7.211; 8.693 90; 90; 90 | 365.894 | Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E. Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 100 K American Mineralogist, 1997, 82, 841-848 |
| 9001876 | CIF | Ca H Mn O5 Si | P 21 21 21 | 5.842; 7.228; 8.704 90; 90; 90 | 367.535 | Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E. Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 300 K American Mineralogist, 1997, 82, 841-848 |
| 9001877 | CIF | Ca H Mn O5 Si | P 21 21 21 | 5.846; 7.248; 8.726 90; 90; 90 | 369.736 | Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E. Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 500 K American Mineralogist, 1997, 82, 841-848 |
| 9002232 | CIF | C H15 Ca O19 U3 | P 21 21 21 | 11.2706; 7.1055; 20.807 90; 90; 90 | 1666.29 | Burns, P. C.; Finch, R. J. Wyartite: Crystallographic evidence for the first pentavalent-uranium mineral American Mineralogist, 1999, 84, 1456-1460 |
| 9004061 | CIF | As Ca Cu H O5 | P 21 21 21 | 7.4; 5.84; 9.21 90; 90; 90 | 398.019 | Qurashi, M. M.; Barnes, W. H. The structures of the minerals of the descloizite and adelite groups: IV - descloizite and conichalcite (part 2) The structure of conichalcite The Canadian Mineralogist, 1963, 7, 561-577 |
| 9004063 | CIF | H O5 Pb V Zn | P 21 21 21 | 7.6; 6.07; 9.44 90; 90; 90 | 435.486 | Qurashi, M. M.; Barnes, W. H. The structures of the minerals of the descloizite and adelite groups: V - descloizite and conichalcite (part 3). The structure of descloizite The Canadian Mineralogist, 1964, 8, 23-39 |
| 9004190 | CIF | As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 | P 21 21 21 | 7.455; 8.955; 5.916 90; 90; 90 | 394.949 | Cesbron, F. P.; Ginderow, D.; Giraud, R.; Pelisson, P.; Pillard, F. La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du district cobalto-nickelifere de Bou-Azzer, Maroc Note: signs changed on y-coordinates of O1 and O2 The Canadian Mineralogist, 1987, 25, 401-407 |
| 9004202 | CIF | Be Ca F Na O6 Si2 | P 21 21 21 | 7.401; 7.412; 9.99 90; 90; 90 | 548.014 | Grice, J. D.; Hawthorne, F. C. Refinement of the crystal structure of leucophanite The Canadian Mineralogist, 1989, 27, 193-197 |
| 9004266 | CIF | Al0.06 Ca Mn0.94 O5 Si | P 21 21 21 | 5.838; 7.224; 8.69 90; 90; 90 | 366.49 | Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A. Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine, Northern Apennines, Italy The Canadian Mineralogist, 1993, 31, 331-336 |
| 9004667 | CIF | Be H8 Na2 O14 Si4 | P 21 21 21 | 9.748; 10.133; 11.954 90; 90; 90 | 1180.77 | Petersen, O. V.; Giester, G.; Brandstatter, F.; Niedermayr, G. Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline complex, South Greenland Sample: T = 293 K Locality: Ilimaussaq alkaline complex, South Greenland The Canadian Mineralogist, 2002, 40, 173-181 |
| 9004670 | CIF | Mo2 Na2 O10 U | P 21 21 21 | 7.2298; 11.324; 12.0134 90; 90; 90 | 983.54 | Krivovichev, S. V.; Finch, R. J.; Burns, P. C. Crystal chemistry of uranyl molybdates. V. Topologically distinct uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2] and K2[(UO2)(MoO4)2](H2O) The Canadian Mineralogist, 2002, 40, 193-200 |
| 9004764 | CIF | H4 Mo3 Na1.5 O15.5 Tl2.5 U | P 21 21 21 | 10.7662; 11.9621; 12.8995 90; 90; 90 | 1661.28 | Krivovichev, S. V.; Burns, P. C. Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 3 The Canadian Mineralogist, 2003, 41, 707-719 |
| 9005087 | CIF | C20 H36 | P 21 21 21 | 12.356; 12.762; 11.427 90; 90; 90 | 1801.89 | Franzini, L.; Pasero, M.; Perchiazzi, N. Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy Locality: Garfagnana, northern Tuscany, Italy European Journal of Mineralogy, 1991, 3, 855-861 |
| 9005868 | CIF | K2 Mn2 O12 S3 | P 21 21 21 | 10.0443; 10.0735; 10.0036 90; 90; 90 | 1012.18 | Oelkrug, H.; Bruckel, T.; Hohlwein, D.; Hoser, A.; Prandl, W. The magnetic structure of the langbeinite K2Mn2(SO4)3 Sample at T = 4.2 K Note, there is something wrong with this dataset. Physics and Chemistry of Minerals, 1988, 16, 246-249 |
| 9006968 | CIF | O2 Si | P 21 21 21 | 26.1753; 4.98437; 8.2006 90; 90; 90 | 1069.91 | Graetsch, H. X-ray powder diffraction study on the modulated high temperature forms of SiO2 tridymite between 110 and 220 C Sample: superstructure, T = 115 C Physics and Chemistry of Minerals, 2001, 28, 313-321 |
| 9007483 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.221 | Baur, W. H. On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths Acta Crystallographica, 1964, 17, 1361-1369 |
| 9007489 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.063; 10.522; 6.107 90; 90; 90 | 646.627 | Finney, J. J. Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O Acta Crystallographica, 1966, 21, 437-440 |
| 9007519 | CIF | C11 H10 O2 S | P 21 21 21 | 18.331; 9.012; 5.949 90; 90; 90 | 982.769 | Christensen, A. T.; Thom, E. The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione Acta Crystallographica, Section B, 1971, 27, 581-586 |
| 9007547 | CIF | Cr H4 N Na O6 | P 21 21 21 | 8.413; 13.039; 6.219 90; 90; 90 | 682.206 | Khan, A. A.; Baur, W. H. Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion Acta Crystallographica, Section B, 1972, 28, 683-693 |
| 9007578 | CIF | Bi Cu3 S3 | P 21 21 21 | 7.723; 10.395; 6.716 90; 90; 90 | 539.164 | Kocman, V.; Nuffield, E. W. The crystal structure of wittichenite, Cu3BiS3 Acta Crystallographica, Section B, 1973, 29, 2528-2535 |
| 9007582 | CIF | H2 K O4 P | P 21 21 21 | 7.434; 7.434; 6.945 90; 90; 90 | 383.811 | Baur, W. H. Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite Acta Crystallographica, Section B, 1973, 29, 2726-2731 |
| 9007583 | CIF | H6 N O4 P | P 21 21 21 | 7.4997; 7.4997; 7.5493 90; 90; 90 | 424.614 | Baur, W. H. Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: polymorph of biphosphammite Acta Crystallographica, Section B, 1973, 29, 2726-2731 |
| 9007731 | CIF | Bi0.9 Cu Ni S3 Sb0.1 | P 21 21 21 | 7.514; 12.557; 4.888 90; 90; 90 | 461.199 | Bente, K.; Doering, T.; Edenharter, A.; Kupcik, V.; Steins, M.; Wendschuh-Josties M Structure of the new mineral muckeite, BiCuNiS3 Acta Crystallographica, Section C, 1990, 46, 127-128 |
| 9007741 | CIF | F H O3 S | P 21 21 21 | 4.868; 6.736; 9.359 90; 90; 90 | 306.89 | Bartmann, K.; Mootz, D. Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 123 K Acta Crystallographica, Section C, 1990, 46, 319-320 |
| 9007765 | CIF | As Na3 O15 S | P 21 21 21 | 9.22; 12.831; 13.906 90; 90; 90 | 1645.1 | Kempa, P. B.; Wiebcke, M.; Felsche, J. Structure of trisodium monothioarsenate dodecahydrate Sample: T = 213 K Acta Crystallographica, Section C, 1990, 46, 729-732 |
| 9007771 | CIF | C8 Cl4 Hf O2 | P 21 21 21 | 7.914; 12.806; 14.357 90; 90; 90 | 1455.03 | Duraj, S. A.; Towns, R. L. R.; Baker, R. J.; Schupp, J. Structure of cis-tetrachlorobis(tetrahydrofuran)hafnium(IV) Acta Crystallographica, Section C, 1990, 46, 890-892 |
| 9007796 | CIF | C16 Br4 P2 Ta | P 21 21 21 | 14.38; 19.17; 8.28 90; 90; 90 | 2282.5 | Hovnanian, N.; Hubert-Pfalzgraf L G; Borgne, G. L. Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 2 Acta Crystallographica, Section C, 1990, 46, 1207-1209 |
| 9007803 | CIF | K2 O10 Si4 Zn | P 21 21 21 | 10.0673; 14.047; 7.0673 90; 90; 90 | 999.425 | Kohara, S.; Kawahara, A. Structure of synthetic dipotassium zinc tetrasilicate Acta Crystallographica, Section C, 1990, 46, 1373-1376 |
| 9007835 | CIF | Ca H16 N2 O12 P3 | P 21 21 21 | 12.821; 12.537; 7.029 90; 90; 90 | 1129.82 | Averbuch-Pouchot M T Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium cyclo-hexaphosphate hexahydrate Acta Crystallographica, Section C, 1990, 46, 2005-2007 |
| 9007864 | CIF | C21 O U | P 21 21 21 | 8.331; 8.899; 23.337 90; 90; 90 | 1730.15 | Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Van den Bossche, G.; Kanellakopulos, B. Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV) Acta Crystallographica, Section C, 1990, 46, 2318-2320 |
| 9007874 | CIF | C7 H6 N Na O3 S2 | P 21 21 21 | 7.499; 26.895; 4.705 90; 90; 90 | 948.931 | Penavic, M.; Jovanovski, G.; Grupce, O. Structure of sodium thiosaccharinate monohydrate Acta Crystallographica, Section C, 1990, 46, 2341-2344 |
| 9008159 | CIF | Cl4 H4 Li2 O2 Zn | P 21 21 21 | 10.24; 11.98; 6.44 90; 90; 90 | 790.028 | Jacobi, H.; Brehler, B. Die kristallstruktur des Li2ZnCl4*2H2O Zeitschrift fur Kristallographie, 1969, 128, 390-405 |
| 9008996 | CIF | B Cl | P 21 21 21 | 13.64; 7.85; 12.91 90; 90; 90 | 1382.32 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 85-237 |
| 9009214 | CIF | Br Cl Hg | P 21 21 21 | 4.1; 13.17; 6.78 90; 90; 90 | 366.1 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 308-309 |
| 9009344 | CIF | As Ca H O5 Zn | P 21 21 21 | 7.505; 9.037; 5.921 90; 90; 90 | 401.578 | Giuseppetti, G.; Tadini, C. The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Greece) Locality: Kamareza, Laurion, Greece Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 159-166 |
| 9009360 | CIF | As0.41 Ca0.924 Cu H O5 Pb0.076 V0.59 | P 21 21 21 | 5.836; 7.43; 9.347 90; 90; 90 | 405.3 | Basso, R.; Palenzona, A.; Zefiro, L. Crystal structure refinement of a Sr-bearing term related to copper vanadates and arsenates of adelite and descloizite groups Locality: Molinello mine, Val Graveglia, Northern Appenines, Eastern Liguria, Italy Neues Jahrbuch fur Mineralogie, Monatshefte, 1989, 1989, 300-308 |
| 9009409 | CIF | As0.25 Ca H Mg O5 V0.75 | P 21 21 21 | 7.51; 9.004; 5.948 90; 90; 90 | 402.204 | Witzke, T.; Steins, M.; Doering, T.; Kolitsch, U. Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Germany Locality: Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany Neues Jahrbuch fur Mineralogie, Monatshefte, 2000, 2000, 444-454 |
| 9009424 | CIF | As H O5 Pb Zn | P 21 21 21 | 7.646; 9.363; 6.077 90; 90; 90 | 435.049 | Keller, P.; Lissner, F.; Schleid, T. The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia) Locality: Tsumeb, Namibia Neues Jahrbuch fur Mineralogie, Monatshefte, 2003, 2003, 374-384 |
| 9009509 | CIF | As Ca H O5 Zn | P 21 21 21 | 7.5092; 9.0438; 5.9343 90; 90; 90 | 403.008 | Clark, L. A.; Pluth, J. J.; Steele, I. M.; Smith, J. V.; Sutton, S. R. Crystal structure of austinite, CaZn(AsO4)OH Mineralogical Magazine, 1997, 61, 677-683 |
| 9009511 | CIF | As Cu H O5 Pb | P 21 21 21 | 7.768; 9.211; 5.999 90; 90; 90 | 429.235 | Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A. The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem Note: sample is synthetic Mineralogical Magazine, 1998, 62, 121-130 |
| 9009562 | CIF | H2 K2 O10 Si3 Ti0.14 Zr0.86 | P 21 21 21 | 10.207; 13.241; 7.174 90; 90; 90 | 969.572 | Ilyushin, G. D. New data on the crystal structure of umbite K2ZrSi3O9*H2O Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy, 1993, 29, 971-975 |
| 9009593 | CIF | Cu H4 O5 Te | P 21 21 21 | 6.634; 9.597; 7.428 90; 90; 90 | 472.915 | Effenberger, H. Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) Note: Synthetic sample. Tschermaks Mineralogische und Petrographische Mitteilungen, 1977, 24, 287-298 |
| 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 |
| 9009799 | CIF | As2 O5 | P 21 21 21 | 8.646; 8.449; 4.626 90; 90; 90 | 337.93 | Jansen, M. Die kristallstruktur von As2O5, eine neue raumnetzstruktur Zeitschrift fur Anorganische und Allgemeine Chemie, 1978, 441, 5-12 |
| 9009892 | CIF | H4 Mn5 O12 P2 | P 21 21 21 | 9.11; 18.032; 5.6923 90; 90; 90 | 935.083 | Ruszala, F. A.; Anderson, J. B.; Kostiner, E. Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 Inorganic Chemistry, 1977, 16, 2417-2422 |
| 9009893 | CIF | Co5 H4 O12 P2 | P 21 21 21 | 8.903; 17.397; 5.5154 90; 90; 90 | 854.255 | Ruszala, F. A.; Anderson, J. B.; Kostiner, E. Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 Locality: synthetic Inorganic Chemistry, 1977, 16, 2417-2422 |
| 9010743 | CIF | D14 Mg O11 S | P 21 21 21 | 11.897133; 11.90851; 6.78729 90; 90; 90 | 961.604 | Fortes, A. D.; Wood, I. G.; Alfredsson, M.; Vocadlo, L.; Knight, K. S. The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K European Journal of Mineralogy, 2006, 18, 449-462 |
| 9011107 | CIF | Nd2 O7 Si2 | P 21 21 21 | 5.394; 12.95; 8.72 90; 90; 90 | 609.112 | Smolin, Y. I.; Shepelev, Y. F. The crystal structures of the rare earth pyrosilicates Acta Crystallographica, Section B, 1970, 26, 484-492 |
| 9011395 | CIF | As Ca Co0.95 Cu0.05 H O5 | P 21 21 21 | 7.4919; 8.9946; 5.9158 90; 90; 90 | 398.646 | Yang, H.; Costin, G.; Keogh, J.; Lu, R.; Downs, R. T. Cobaltaustinite, CaCo(AsO4)(OH) Acta Crystallographica, Section E, 2007, 63, i53-i55 |
| 9011513 | CIF | Mg Na O4 P | P 21 21 21 | 8.828; 6.821; 15.25 90; 90; 90 | 918.291 | Alkemper, J.; Fuess, H. The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures Zeitschrift f"ur Kristallographie, 1998, 213, 282-287 |
| 9011811 | CIF | C O4 Pb2 | P 21 21 21 | 5.1465; 9.014; 9.315 90; 90; 90 | 432.128 | Krivovichev, S. V.; Burns, P. C. Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic shannonite, Pb2O(CO3) Locality: synthetic Mineralogical Magazine, 2000, 64, 1063-1068 |
| 9011883 | CIF | H14 Ni O11 S | P 21 21 21 | 11.768; 12.021; 6.758 90; 90; 90 | 956.008 | Iskhakova, L. D.; Dubrovinskii, L. S.; Charushnikova, I. A. Crystal structure, theoretical parameters of potential of atomic interaction (PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6) Soviet Physics Crystallography, 1991, 36, 360-363 |
| 9012218 | CIF | H In2 K2 O10 P2 | P 21 21 21 | 9.277; 9.339; 11.245 90; 90; 90 | 974.243 | Hriljac, J. A.; Grey, C. P.; Cheetham, A. K.; VerNooy, P. D.; Torardi, C. C. Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra Journal of Solid State Chemistry, 1996, 123, 243-248 |
| 9012333 | CIF | S18 | P 21 21 21 | 21.152; 11.441; 7.581 90; 90; 90 | 1834.6 | Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A. Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S18 Zeitschrift fur Anorganische und Allgemeine Chemie, 1974, 405, 153-162 |
| 9012343 | CIF | As O5 Sb | P 21 21 21 | 9.1607; 8.7524; 4.9035 90; 90; 90 | 393.153 | Jansen, M.; Begemann, B.; Geb, J. Mischkristallbildung in den systemen As2O5/SbAsO5 und As2O5/AsPO5 bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen Zeitschrift fur Anorganische und Allgemeine Chemie, 1992, 610, 139-144 |
| 9012344 | CIF | As O5 P | P 21 21 21 | 8.417; 8.171; 4.536 90; 90; 90 | 311.965 | Jansen, M.; Begemann, B.; Geb, J. Mischkristallbildung in den Systemen As2O5/SbAsO5 und As2O5/AsPO5: bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen Zeitschrift fur Anorganische und Allgemeine Chemie, 1992, 610, 139-144 |
| 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 |
| 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 |
| 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 |
| 9012356 | CIF | D2 O2 Zn | P 21 21 21 | 4.90855; 5.14641; 8.488 90; 90; 90 | 214.419 | 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 = 298 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254 |
| 9012357 | CIF | D2 O2 Zn | P 21 21 21 | 4.88877; 5.12854; 8.5029 90; 90; 90 | 213.187 | 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 = 120 K Zeitschrift fur Anorganische und Allgemeine Chemie, 2005, 631, 1247-1254 |
| 9012358 | CIF | D2 O2 Zn | P 21 21 21 | 4.88626; 5.12609; 8.5066 90; 90; 90 | 213.068 | 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 |
| 9012359 | CIF | D2 O2 Zn | P 21 21 21 | 4.88564; 5.12565; 8.50702 90; 90; 90 | 213.033 | 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 |
| 9012418 | CIF | Al2 Ca H4 O10 Si2 | P 21 21 21 | 13.902; 8.892; 13.952 90; 90; 90 | 1724.7 | Vezzalini, G.; Quartieri, S.; Alberti, A. Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 24 hr Zeolites, 1993, 13, 34-42 |
| 9012622 | CIF | Li Na5 O8 P2 | P 21 21 21 | 10.124; 14.794; 10.132 90; 90; 90 | 1517.52 | Rastsvetaeva, R. K.; Khomyakov, A. P. A comparative crystal-chemical study of the lithium-sodium phosphates (lithiophosphate, nalipoite, olympite, and Na3PO4) Note: O5(y) made negative to match reported bond distances Crystallography Reports, 1994, 39, 35-41 |
| 9012715 | CIF | Cu2 H3 N O6 | P 21 21 21 | 6.087; 13.813; 5.597 90; 90; 90 | 470.594 | Bovio, B.; Locchi, S. Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3 Journal of Crystallographic and Spectroscopic Research, 1982, 12, 507-517 |
| 9012798 | CIF | As0.931 Ca H Mg O5 P0.069 | P 21 21 21 | 7.468; 8.953; 5.941 90; 90; 90 | 397.221 | Effenberger, H.; Krause, W.; Bernhardt, H. J. Structural investigations of adelite and cobaltaustinite, two members of the adelite-descloizite group Experimental Mineralogy, Petrology and Geochemistry Abstract Volume, 2002, 9, 30-30 |
| 9012846 | CIF | As2 O5 | P 21 21 21 | 8.646; 8.45; 4.626 90; 90; 90 | 337.97 | Jansen, M. Kristallstruktur von As2O5 Angewandte Chemie, 1977, 89, 326-327 |
| 9013406 | CIF | H14 Ni O11 S | P 21 21 21 | 11.82; 12.02; 6.81 90; 90; 90 | 967.54 | Beevers, C. A.; Schwartz, C. M. The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133 Note: all atoms shifted .25, 0, 0 Zeitschrift fur Kristallographie, 1935, 91, 157-169 |
| 9013441 | CIF | Bi Cu Pt S3 | P 21 21 21 | 7.7152; 12.838; 4.9248 90; 90; 90 | 487.79 | Yu, Z.; Cheng, F.; Ma, H. Lisiguangite, CuPtBiS3, a new platinum-group mineral from the Yanshan Mountains, Hebei, China Locality: Yanshan Mountains, Hebei, China Acta Geologica Sinica, 2009, 83, 238-244 |
| 9013493 | CIF | O2 Si | P 21 21 21 | 26.163; 4.987; 8.199 90; 90; 90 | 1069.76 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 413 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 9013618 | CIF | H4 Mg O6 S | P 21 21 21 | 8.8932; 8.4881; 12.4401 90; 90; 90 | 939.058 | Ma, H.; Bish, D. L.; Wang, H. W.; Chipera, S. J. Determination of the crystal structure of sanderite, MgSO4*2H2O, by X-ray powder diffraction and the charge flipping method Locality: synthetic Note: x-coordinate of O4 changed by the author American Mineralogist, 2009, 94, 622-625 |
| 9013995 | CIF | C H2 Ca4 O10.99 Si1.98 | P 21 21 21 | 3.786; 10.916; 23.379 90; 90; 90 | 966.207 | Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V. Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals Doklady Earth Sciences, 2005, 1347-1351 |
| 9014489 | CIF | C H Gd O4 | P 21 21 21 | 7.0755; 4.8739; 8.4471 90; 90; 90 | 291.301 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014623 | CIF | Cu H4 O5 Se | P 21 21 21 | 6.666; 9.169; 7.373 90; 90; 90 | 450.642 | Pasero, M.; Perchiazzi, N. Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement Neues Jahrbuch fur Mineralogie, Monatshefte, 1989, 1989, 551-556 |
| 9014709 | CIF | C H Eu O4 | P 21 21 21 | 7.1002; 4.8932; 8.453 90; 90; 90 | 293.68 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 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 |
| 9014825 | CIF | C H O4 Y | P 21 21 21 | 6.9591; 4.8141; 8.4722 90; 90; 90 | 283.834 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9014848 | CIF | As Ca Cu0.96 H Mg0.04 O5 | P 21 21 21 | 7.3849; 5.8379; 9.1937 90; 90; 90 | 396.362 | Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131 |
| 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 |
| 9014914 | CIF | As0.06 H4 Mn5 O12 P1.76 Si0.18 | P 21 21 21 | 17.9733; 5.6916; 9.13 90; 90; 90 | 933.97 | Elliott, P.; Pring, A. The crystal structure of gatehouseite Mineralogical Magazine, 2011, 75, 2823-2832 |
| 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 |
| 9015295 | CIF | C H O4 Tm | P 21 21 21 | 6.9028; 4.7833; 8.5086 90; 90; 90 | 280.938 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015327 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.506; 10.506; 6.103 90; 90; 90 | 673.625 | Eby, R. K.; Hawthorne, F. C. Euchroite, a heteropolyhedral framework structure Acta Crystallographica, Section C, 1989, 45, 1479-1482 |
| 9015477 | CIF | Cu2 H2 O7 Pb Te | P 21 21 21 | 5.1943; 9.6198; 11.6746 90; 90; 90 | 583.358 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B. Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets American Mineralogist, 2010, 95, 1560-1568 |
| 9015545 | CIF | H2 O2 Zn | P 21 21 21 | 4.905; 5.143; 8.473 90; 90; 90 | 213.743 | 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 |
| 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 |
| 9015908 | CIF | C H Ho O4 | P 21 21 21 | 6.9583; 4.8121; 8.4558 90; 90; 90 | 283.134 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015977 | CIF | K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.065 | Dadachov, M.; Le Bail, A. Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136 European Journal of Solid State and Inorganic Chemistry, 1997, 34, 381-390 |
| 9016089 | CIF | C H O4 Tb | P 21 21 21 | 7.0256; 4.8577; 8.4657 90; 90; 90 | 288.92 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016258 | CIF | As Ca Cu0.87 H Mg0.13 O5 | P 21 21 21 | 7.429; 5.852; 9.215 90; 90; 90 | 400.618 | Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R. Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH) Journal of Mineralogical and Petrological Sciences, 2009, 104, 125-131 |
| 9016264 | CIF | C H Er O4 | P 21 21 21 | 6.9386; 4.7963; 8.4863 90; 90; 90 | 282.421 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016350 | CIF | Be H7.532 Na2 O13.766 Si4 | P 21 21 21 | 9.7128; 10.1352; 11.8919 90; 90; 90 | 1170.65 | Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T. Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals American Mineralogist, 2010, 95, 519-526 |
| 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 |
| 9016606 | CIF | As0.5 Ca Cu H O5 P0.5 | P 21 21 21 | 7.328; 9.123; 5.769 90; 90; 90 | 385.677 | Schluter, J.; Pohl, D.; Gebhard, G. The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue of conichalcite, from Tsumeb, Namibia Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 135-140 |
| 9016652 | CIF | C H Dy O4 | P 21 21 21 | 6.9813; 4.8336; 8.4449 90; 90; 90 | 284.972 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016796 | CIF | Fe H7 Na2 O12 S2 | P 21 21 21 | 7.265; 20.522; 7.12 90; 90; 90 | 1061.54 | Scordari, F.; Ventruti, G. Sideronatrite, Na2Fe(SO4)2(OH)*3H2O: Crystal structure of the orthorhombic polytype and OD character analysis American Mineralogist, 2009, 94, 1679-1686 |
| 9016968 | CIF | Al2 Ca H6 O11 Si2 | P 21 21 21 | 13.6801; 10.467; 13.8667 90; 90; 90 | 1985.57 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Phase B, Path 1 American Mineralogist, 2013, 98, 1988-1997 |
| 9016969 | CIF | Al4 Ca1.941 H8 O20 Si4 | P 21 21 21 | 13.9014; 8.9469; 13.9697 90; 90; 90 | 1737.47 | Wadoski-Romeijn E; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 150 C, Phase C, Path 1 American Mineralogist, 2013, 98, 1988-1997 |
| 9017208 | CIF | C20 H36 | P 21 21 21 | 12.356; 12.762; 11.427 90; 90; 90 | 1801.89 | Franzini, L.; Pasero, M.; Perchiazzi, N. Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy European Journal of Mineralogy, 1991, 3, 855-861 |
| 9017386 | CIF | B K O6 Si2 | P 21 21 21 | 9.963; 10.4348; 4.7044 90; 90; 90 | 489.078 | Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P. First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula Applied Mineralogy in Research, Economy, Technology, and Culture, 2000, 1, 254-248 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017505 | CIF | O2 Si | P 21 21 21 | 7.22; 7.09; 7.3 90; 90; 90 | 373.686 | Le Bail, A. Modelling the silica glass structure by the Rietveld method Note: model for amorphous silica based on cristobalite-type topology Journal of Non-Crystalline Solids, 1995, 183, 39-42 |
| 9017540 | CIF | H14 O11 S Zn | P 21 21 21 | 11.728; 11.973; 6.772 90; 90; 90 | 950.92 | Anderson, J. L.; Peterson, R. C.; Swaison, I. P. Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Single crystal X-ray diffraction Mineralogical Magazine, 2005, 69, 259-271 |
| 9017541 | CIF | H14 O11 S Zn | P 21 21 21 | 11.8176; 12.0755; 6.827 90; 90; 90 | 974.236 | Anderson, J. L.; Peterson, R. C.; Swaison, I. P. Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement Mineralogical Magazine, 2005, 69, 259-271 |
| 9017593 | CIF | B2 Ca2 O5 | P 21 21 21 | 3.55645; 6.35194; 19.2534 90; 90; 90 | 434.941 | Kusachi, I.; Kobayashi, S.; Takechi, Y.; Nakamuta, Y.; Nagase, T.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Shigeoka, M.; Matsubara, S. Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral from Fuka, Okayama Prefecture, Japan Note: polytype Shimazakiite-4O Mineralogical Magazine, 2013, 77, 93-105 |
| 9017757 | CIF | Bi Cu Pd Se3 | P 21 21 21 | 5.0052; 7.9921; 13.5969 90; 90; 90 | 543.904 | Vymazalova, A.; Cabral, A. R.; Laufek, F.; Liebmann, W.; Stanley, C. J.; Lehmann, B. Roterbarite, PdCuBiSe3, a new mineral species from the Roter Bar mine, Harz Mountains, Germany Mineralogy and Petrology, 2020, 114, 443-451 |
| 9017834 | CIF | As Cu H O5 Pb | P 21 21 21 | 7.77; 9.209; 5.995 90; 90; 90 | 428.966 | Sokolova, E. V.; Egorov-Tismenko Y K Study of crystalline structures of rare arsenates: duftite and mimetite Vestnik Moskovskogo Universiteta Geologiya, 1982, 37, 50-56 |
| 9017892 | CIF | Fe0.17 H14 Mg0.83 O11 S | P 21 21 21 | 11.8664; 12.015; 6.8598 90; 90; 90 | 978.035 | Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H. Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2019, 126, 33-44 |
| 9017907 | CIF | C19 O8 | P 21 21 21 | 9.837; 10.517; 18.7594 90; 90; 90 | 1940.77 | Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J. Structure, absolute configuration, and conformation of the antimalarial drug artesunate Journal of Chemical Crystallography, 2002, 32, 43-48 |
| 9017916 | CIF | Fe H5 O7 S | P 21 21 21 | 7.2226; 7.393; 20.0542 90; 90; 90 | 1070.83 | Plasil, J.; Petricek, V.; Majzlan, J. A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O Acta Crystallographica, Section B, 2017, 73, 856-862 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!