Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 8107682 | CIF | C15 H13 N O7 S | P -1 | 6.599; 7.7259; 16.428 79.1416; 79.4782; 81.1835 | 802.6 | Deng, Shao-Wen; Yuan, Lin; Li, Zhong-Yan The crystal structure of methyl 5-nitro-2-(tosyloxy)benzoate, C15H13NO7S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1133-1134 |
| 8107683 | CIF | C12 H32 Cl4 Cu2 O10 | P 1 21/n 1 | 9.0202; 9.5791; 13.6994 90; 92.555; 90 | 1182.53 | Liu, Zhaolong; Jin, Shifeng The crystal structure of 18-crown-6 ― tetraaqua-dichlorido-di-μ2-chloridodicopper(II) (2/1), C12H32O10Cu2Cl4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1135-1136 |
| 8107684 | CIF | C10 H14 N4 | P b c a | 15.5356; 9.8551; 25.5551 90; 90; 90 | 3912.61 | Dali, Zhu; Yu, Yu Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1137-1139 |
| 8107685 | CIF | C26 H30 Cl2 Co N4 O12 S2 | P 1 21/c 1 | 11.4094; 14.2343; 11.6775 90; 114.313; 90 | 1728.28 | Chen, Xiao-Miao; Liu, Zheng-Jun; Liu, Qing; Zhang, Yu-Tao; He, Xue; Deng, Yun Crystal structure of catena-poly-{diaqua-bis[μ-(((4-chlorophenyl)sulfonyl)glycinato-κO)](μ 2-4, 4′-bipyridine-κ 2 N:N′)cobalt(II)} dihydrate, C26H30Cl2CoN4O12S2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1141-1143 |
| 8107686 | CIF | C44 H36 N6 S2 Zn | P 1 21/c 1 | 14.5676; 26.1767; 10.0963 90; 99.14; 90 | 3801.2 | Tan, Ming Yueh; Crouse, Karen A.; Tan, Sang Loon; Tiekink, Edward R. T. Crystal structure of bis{N′-[1,3-diphenylprop-2-en-1-ylidene]-N-phenylcarbamohydrazonothioato}zinc(II), C44H36N6S2Zn Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1145-1148 |
| 8107687 | CIF | C16 H26 Cl2 Co N2 O14 S2 | P 1 21/n 1 | 5.3261; 39.755; 6.2518 90; 96.88; 90 | 1314.22 | Liu, Zheng-Jun; Chen, Xiao-Miao; Wu, Qiang; Zhang, Yu-Tao; Zhou, Wu-Chao; Wei, Li; Zhao, Ying-Xian Crystal structure of tetraaqua-bis(((4-chlorophenyl)sulfonyl)glycinato-κO)cobalt(II) dihydrate, C16H26Cl2CoN2O14S2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1149-1151 |
| 8107688 | CIF | C24 H19 N3 O | P 1 21/c 1 | 10.4783; 11.7171; 14.9194 90; 93.991; 90 | 1827.29 | Zeng, Dai; Tan, Kai; Fang, Ziyan; Xing, Aiping Crystal structure of 2-(5-phenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, C24H19N3O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1153-1155 |
| 8107689 | CIF | C19 H16 F4 O3 | P 1 21/n 1 | 9.5792; 9.5542; 17.6986 90; 99.508; 90 | 1597.55 | Li, Yu-Lun; Meng, Qing-Guo; Hou, Gui-Ge; Geng, Zi-Kai Crystal structure of 2-((2-fluoro-4-(trifluoromethyl)phenyl)(hydroxy)methyl)-7-methoxy-3,4-dihydronaphthalen-1((2H))-one, C19H16F4O3 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1157-1159 |
| 8107690 | CIF | C20 H18 Cl F4 N3 O | P b c a | 12.5254; 12.6845; 24.149 90; 90; 90 | 3836.8 | Yu, Lu; Meng, Qing-Guo; Hou, Gui-Ge; Liu, Yong-Jun; Geng, Zi-Kai Crystal structure of 2-amino-4-(2-fluoro-3-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1161-1163 |
| 8107691 | CIF | C34 H26 F6 Ir N6 P | P 1 21/c 1 | 11.929; 12.653; 21.707 90; 105.48; 90 | 3157.5 | Qian, Jun; Chen, Chunjie; Ma, Liang; Wang, Yida Crystal structure of (2-phenylimino methylquinoline-κ 2 N,N′)-bis(1–phenylpyrazole-κ 2 C,N)-iridium(III) hexafluorophosphate, C34H26F6IrN6P Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1165-1167 |
| 8107692 | CIF | C12 H15 N O3 | P 1 21/c 1 | 6.723; 11.1182; 14.4996 90; 94.887; 90 | 1079.87 | Xu, Xiaona; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin Crystal structure of (3-hydroxy-4-methoxyphenyl)(pyrrolidin-1-yl)methanone, C12H15NO3 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1169-1170 |
| 8107693 | CIF | C6 H18 Br6 In Na O2 S2 | P m n 21 | 10.5451; 7.1169; 13.7034 90; 90; 90 | 1028.42 | Jin, Shifeng; Lu, Jiali The crystal structure of bis(trimethylsulfoxonium) catena-poly[µ2-hexabromido-indium(III)sodium(I)] C6H18O2S2NaInBr6 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1171-1173 |
| 8107694 | CIF | C44 H52 N4 O12 | P 1 21/n 1 | 8.0478; 9.8093; 13.1602 90; 104.712; 90 | 1004.85 | Tong, Hongjuan; Xu, Xiaona; Zhu, Zhoujing; Liu, Bin Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1175-1176 |
| 8107695 | CIF | C20 H24 Cl Cu N5 O12 | P 1 21 1 | 7.4467; 17.3823; 9.6974 90; 103.373; 90 | 1221.2 | Yang, Yu; Liu, Huanru; Wang, Yuhang; Meng, Xianggao The crystal structure of (bis(benzimidazol-2-yl-methyl)amine-κ3N,N′,N″ )-(dihydrogen L-malate-κ2O,O ′)copper(II) perchlorate dihydrate, CuC20H24ClN5O12 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1177-1179 |
| 8107696 | CIF | C31 H28 N2 O2 | P -1 | 9.0809; 9.2626; 14.854 93.574; 98.554; 99.558 | 1213.5 | Ma, Ying-Hong; Zhao, Hong-Yan; Tian, Yu; Wu, Yi; Wang, Lei Crystal structure of (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde dioxime, C31H28N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1181-1183 |
| 8107697 | CIF | C40 H36 F2 N2 O4 | P 1 21/c 1 | 9.818; 19.355; 17.93 90; 102.353; 90 | 3328.3 | Zhang, Zi-Ang; Li, Jun-Xiang; Lu, Sen-Bao; Li, Peng Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1185-1187 |
| 8107698 | CIF | C52 H66 N4 Ni O28 | P -1 | 11.292; 11.67; 12.165 81.872; 67.036; 75.624 | 1428 | Chen, Xiao-Ming; Ou, Guang-Chuan Crystal structure of bis(benzene-1 carboxylato-O 3,5-carboxyl-κ 1O)-[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N′′,N′′′)nickel(II) ─ benzene-1,3,5-tricarboxylic acid ─ water (1/2/4), C52H66N4NiO28 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1189-1191 |
| 8107699 | CIF | C12 H16 Br2 O4 | P 1 21/n 1 | 12.594; 4.4613; 12.878 90; 91.209; 90 | 723.4 | Wang, Zhi-Yong; Lu, Wan-Li; Zhou, Xu; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong Crystal structure of 1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene-1,4-diol, C12H16Br2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1193-1194 |
| 8107700 | CIF | C30 H40 N2 Ni O2 | P n m a | 12.8114; 21.301; 10.6536 90; 90; 90 | 2907.3 | Shen, Lingyi; Xu, Na; Jiang, Mengna; Zhao, Jiang; Xu, Xiaoling; Yang, Xian-Jiong; Zhang, Qi-Long Crystal structure of dicarbonyl[N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine]-N,N′]nickel(0), C30H40N2NiO2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1195-1197 |
| 8107701 | CIF | C12 H8 Br2 O2 | P 1 21/c 1 | 4.1957; 13.402; 11.16 90; 99.645; 90 | 618.7 | Wang, Zhi-Yong; Zhang, Qi-Long; Zhang, Xiu-Ming; Zhou, Xu; Yang, Xian-Jiong; Xu, Hong Crystal structure of 1,4-dibromo-2,5-bis(prop-2-yn-1-yloxy)benzene, C12H8Br2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1199-1200 |
| 8107702 | CIF | C24 H15 N O2 S2 | P 1 21/c 1 | 20.825; 5.3649; 18.8787 90; 106.278; 90 | 2024.7 | Wang, Qian; Liu, Yong-Lang; Ye, Jiang-Hai; Zou, Juan; Wu, Chong; Yang, Wu-De Crystal structure of O-(3-(benzo[d]thiazol-2-yl)naphthalen-2-yl) O-phenyl carbonothioate, C24H15NO2S2 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1201-1203 |
| 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 |
| 8107704 | CIF | C24 H14 Cl0 N2 S | P 1 21/n 1 | 18.443; 4.0161; 23.396 90; 99.246; 90 | 1710.4 | Shen, Lingyi; Gong, Qianjin; Xu, Na; Xu, Xiaoling; Jiang, Mengna; Zhao, Jiang; Huang, Ya-Li; Wang, Zhi-Yong; Zhang, Qi-Long Crystal structure of (E)-1-(benzo[d]thiazol-2-yl)-N-(4,5-dihydropyren-2-yl)methanimine, C24H16N2S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1209-1210 |
| 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 |
| 8107706 | CIF | C22 H22 N2 O9 | P 1 21/c 1 | 7.7374; 29.1082; 8.7595 90; 96.853; 90 | 1958.74 | Chen, Hai-Lin; Li, Xian; Yao, Dong-Mei; Luo, Ze-Ping; Wang, Yan-Ping; Lan, Jian-Jing Synthesis and crystal structure of 1-((7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carboxylate monohydrate, C22H22N2O9 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1215-1217 |
| 8107707 | CIF | C25 H37 N O2 | P 1 | 7.332; 11.8132; 13.1604 99.191; 95.039; 95.856 | 1113.06 | Wei, Peng; Zhao, Jin-Feng; Zou, Juan; Ye, Jiang-Hai; He, Kang; Xu, Hong Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1219-1222 |
| 8107708 | CIF | La12 Li Mg46 Mn | F m -3 m | 14.7119; 14.7119; 14.7119 90; 90; 90 | 3184.24 | Pavlyuk, Nazar; Nytka, Vitalii; Kordan, Vasyl; Pavlyuk, Volodymyr Crystal structure of the hydrogen storage active phase La12Mg46LiMn Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1223-1225 |
| 8107709 | CIF | C22 H15 N3 O7 | P -1 | 8.1312; 10.5732; 12.0961 110.933; 101.603; 91.295 | 946.37 | Smith, Mark G. The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4 Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1227-1228 |
| 8107710 | CIF | C30 H22 F6 Ir N7 P | P 1 21/c 1 | 8.8876; 32.8428; 10.501 90; 106.623; 90 | 2937.08 | Qian, Jun; Chen, Chunjie; Ma, Liang; Wang, Yida Crystal structure of (2-(2-pyridine)-benzimidazole-κ 2 N,N′)-bis(1-phenylpyrazole-κ 2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1229-1231 |
| 8107711 | CIF | C22 H14 Cl2 F4 N2 Pt | P 1 21/n 1 | 16.858; 14.876; 17.125 90; 98.552; 90 | 4247 | Cheng, Chen-En-Ze; Zhang, Jian-Guo; Tan, Wei; Zou, Hao Crystal structure of dichlorido-bis[2-(2,4-difluorophenyl)pyridine-κ 1N]platinum(II), C22H14Cl2F4N2Pt Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1233-1235 |
| 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 |
| 8107713 | CIF | C37 H62 N4 O5 S | P -1 | 10.6902; 12.9126; 15.1755 92.277; 104.928; 111.714 | 1859.08 | Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M. Crystal structure of bis(dicyclohexylammonium) 4-(2-carboxylatophenyl)- 3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate, C37H62N4O5S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 53-55 |
| 8107714 | CIF | C24 H28 Cl N4 O3 Re | P 1 21/n 1 | 9.9185; 27.256; 10.0375 90; 109.082; 90 | 2564.42 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of fac-tricarbonyl-chlorido-bis(para-N’,N’-dimethyl-κ- N-pyridyl)rhenium(I) toluene (1:1), C24H28ClN4O3Re Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 56-58 |
| 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 |
| 8107716 | CIF | C21 H18 O4 S2 | P b c a | 8.2038; 19.881; 24.0661 90; 90; 90 | 3925.2 | Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Fun, Hoong-Kun Crystal structure of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one, C21H18O4S2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 61-62 |
| 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 |
| 8107718 | CIF | C18 H10 Cl2 N2 O | P -1 | 6.8195; 9.6727; 13.268 98.491; 100.571; 107.434 | 801.44 | Yanping, Yi Crystal structure of 2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile, C18H10Cl2N2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 65-66 |
| 8107719 | CIF | C10 H12 Br N3 S | P 1 21/n 1 | 8.561; 11.012; 13.214 90; 107.345; 90 | 1189.09 | Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard Crystal structure of 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemicarbazide, C10H12BrN3S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 67-68 |
| 8107720 | CIF | C18 H19 Cl N4 O2 S | I 1 2/a 1 | 15.771; 11.101; 22.072 90; 101.986; 90 | 3780 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 69-70 |
| 8107721 | CIF | C14 H8 Cl2 N2 O | P 1 21/c 1 | 18.692; 5.8557; 12.575 90; 106.875; 90 | 1317.1 | Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 71-72 |
| 8107722 | CIF | Al7.33 Mg4.36 | F d -3 m :2 | 28.2341; 28.2341; 28.2341 90; 90; 90 | 22507.2 | Montagne, Pierre; Tillard, Monique Mg2 Al3, a complex and disordered intermetallic compound as anode material for metal-air batteries Zeitschrift fuer Kristallographie, 2015, 19, 685 |
| 9000000 | CIF | F0.5 Fe6.1 H1.5 Mg0.9 O23.5 Si8 | C 1 2/m 1 | 9.5642; 18.393; 5.3388 90; 101.892; 90 | 919.015 | Finger, L. W. The crystal structure and cation distribution of a grunerite Mineralogical Society of America Special Paper, 1969, 2, 95-100 |
| 9000001 | CIF | Pb S | F m -3 m | 5.93; 5.93; 5.93 90; 90; 90 | 208.528 | Ramsdell, L. S. The crystal structures of some metallic sulfides American Mineralogist, 1925, 10, 281-304 |
| 9000002 | CIF | Pb Se | F m -3 m | 6.14; 6.14; 6.14 90; 90; 90 | 231.476 | Ramsdell, L. S. The crystal structures of some metallic sulfides American Mineralogist, 1925, 10, 281-304 |
| 9000003 | CIF | Pb Te | F m -3 m | 6.34; 6.34; 6.34 90; 90; 90 | 254.84 | Ramsdell, L. S. The crystal structures of some metallic sulfides American Mineralogist, 1925, 10, 281-304 |
| 9000004 | CIF | Hg S | P 32 2 1 | 4.15; 4.15; 9.51 90; 90; 120 | 141.843 | Ramsdell, L. S. The crystal structures of some metallic sulfides American Mineralogist, 1925, 10, 281-304 |
| 9000005 | CIF | Fe S2 | P m n n | 3.37; 4.44; 5.39 90; 90; 90 | 80.649 | Buerger, M. J. The crystal structure of marcasite American Mineralogist, 1931, 16, 361-395 |
| 9000006 | CIF | K2 O6 S2 | P 3 2 1 | 9.82; 9.82; 6.36 90; 90; 120 | 531.142 | Huggins, M. L.; Frank, G. O. The crystal structure of potassium dithionate, K2S2O6 Note: coordinates revised according to Am Min 18 (1933) 455-457 American Mineralogist, 1931, 16, 580-591 |
| 9000007 | CIF | O6 Rb2 S2 | P 3 2 1 | 10; 10; 6.3 90; 90; 120 | 545.596 | Huggins, M. L.; Frank, G. O. The crystal structure of potassium dithionate, K2S2O6 American Mineralogist, 1931, 16, 580-591 |
| 9000008 | CIF | As0.03 Cu0.53 Fe0.31 Mo0.09 S0.71 Sb0.01 Sn0.05 Te0.02 Zn0.01 | F -4 3 m | 5.304; 5.304; 5.304 90; 90; 90 | 149.214 | Zachariasen, W. H. X-Ray examination of colusite, (Cu,Fe,Mo,Sn)4(S,As,Te)3-4 American Mineralogist, 1933, 18, 534-537 |
| 9000009 | CIF | H2 Mg3 O12 Si4 | C 1 c 1 | 5.31; 9.2; 28.46 90; 97.14; 90 | 1379.55 | Gruner, J. W. The structures of vermiculites and their collapse by dehydration American Mineralogist, 1934, 19, 557-575 |
| 9000010 | CIF | Be4 Na O7 Sb | P 63 m c | 5.47; 5.47; 8.92 90; 90; 120 | 231.137 | Pauling, L.; Klug, H. P.; Winchell, A. N. The crystal structure of swedenborgite, NaBe4SbO7 American Mineralogist, 1935, 20, 492-501 |
| 9000011 | CIF | Fe S4 Sb2 | P n a m | 11.44; 14.12; 3.76 90; 90; 90 | 607.363 | Buerger, M. J. The crystal structure of berthierite American Mineralogist, 1936, 21, 205-206 |
| 9000012 | CIF | O3 Sb2 | P c c n | 4.92; 12.46; 5.42 90; 90; 90 | 332.263 | Buerger, M. J. The crystal structure of valentinite American Mineralogist, 1936, 21, 206-207 |
| 9000013 | CIF | Al3 H6 K O14 S2 | R -3 m :H | 6.96; 6.96; 17.35 90; 90; 120 | 727.861 | Hendricks, S. B. The crystal structures of alunite and the jarosites American Mineralogist, 1937, 22, 773-784 |
| 9000014 | CIF | Al2 Ca3 O12 Si2.001 | I a -3 d | 12.14; 12.14; 12.14 90; 90; 90 | 1789.19 | Pabst, A. The crystal structure of plazolite American Mineralogist, 1937, 22, 861-868 |
| 9000015 | CIF | Cu Fe O2 | R -3 m :R | 5.96; 5.96; 5.96 29.43; 29.43; 29.43 | 45.238 | Pabst, A. Crystal structure and density of delafossite American Mineralogist, 1938, 23, 175-176 |
| 9000016 | CIF | H2 Mg3 O12 Si4 | C 1 c 1 | 5.33; 9.18; 28.85 90; 93.25; 90 | 1409.34 | Hendricks, S. B.; Jefferson, M. E. Crystal structure of vermiculites and mixed vermiculite-chlorites American Mineralogist, 1938, 23, 851-862 |
| 9000017 | CIF | Fe S Sb | P 1 21/c 1 | 6.02; 5.93; 6.02 90; 67.87; 90 | 199.074 | Buerger, M. J. The crystal structure of gudmundite American Mineralogist, 1939, 24, 183-184 |
| 9000018 | CIF | Fe S Sb | B 1 21/d 1 | 10; 5.93; 6.73 90; 90; 90 | 399.089 | Buerger, M. J. The crystal structure of gudmundite American Mineralogist, 1939, 24, 183-184 |
| 9000019 | CIF | Fe1.4 H1.667 O4.001 Si0.5 | R 3 :H | 3.16; 3.16; 21.25 90; 90; 120 | 183.765 | Hendricks, S. B. Random structures of layer minerals as illustrated by cronstedtite (2FeO.Fe2O3.SiO2.2H2O). Possible iron content of kaolin American Mineralogist, 1939, 24, 529-539 |
| 9000020 | CIF | Al1.624 F3.882 H2.993 Mg0.376 Na0.35 O2.993 | F d -3 m :1 | 9.87; 9.87; 9.87 90; 90; 90 | 961.505 | Pabst, A. Formula and structure of ralstonite American Mineralogist, 1939, 24, 566-576 |
| 9000021 | CIF | Al F H K Mg3 O11 Si3 | C 1 m 1 | 5.32; 9.21; 10.16 90; 100.03; 90 | 490.203 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements Note: Biotite group American Mineralogist, 1939, 24, 729-771 |
| 9000022 | CIF | Al F H K Mg3 O11 Si3 | C 1 2/c 1 | 5.32; 9.21; 20.08 90; 95; 90 | 980.12 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements Note: data is reproduced from Jackson and West (1930) Note: Biotite group American Mineralogist, 1939, 24, 729-771 |
| 9000023 | CIF | Al F H K Mg3 O11 Si3 | P 31 1 2 | 5.3; 5.3; 30 90; 90; 120 | 729.8 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements Note: Biotite group American Mineralogist, 1939, 24, 729-771 |
| 9000024 | CIF | Al F H K Mg3 O11 Si3 | C 1 c 1 | 9.2; 5.3; 60 90; 90; 90 | 2925.6 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements American Mineralogist, 1939, 24, 729-771 |
| 9000025 | CIF | Al F H K Mg3 O11 Si3 | P -1 | 5.3; 5.3; 60 90; 90; 120 | 1459.6 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements American Mineralogist, 1939, 24, 729-771 |
| 9000026 | CIF | Ag Au Te4 | P 1 2/c 1 | 8.94; 4.48; 14.59 90; 145.43; 90 | 331.566 | Tunell, G. The atomic arrangement of sylvanite American Mineralogist, 1941, 26, 457-477 |
| 9000027 | CIF | Ba Fe O10 Si4 | P 4/n c c :1 | 7.495; 7.495; 16.05 90; 90; 90 | 901.609 | Pabst, A. Crystal structure of gillespite, BaFeSi4O10 American Mineralogist, 1943, 28, 372-390 |
| 9000028 | CIF | C7 Si7 | R 3 m :H | 3.073; 3.073; 52.78 90; 90; 120 | 431.643 | Ramsdell, L. S. The crystal structure of alpha-SiC, type IV American Mineralogist, 1944, 29, 431-442 |
| 9000029 | CIF | C11 Si11 | R 3 m :H | 3.073; 3.073; 82.94 90; 90; 120 | 678.297 | Ramsdell, L. S. The crystal structure of alpha-SiC, type VI American Mineralogist, 1944, 29, 519-525 |
| 9000030 | CIF | Ni Te2 | P -3 m 1 | 3.835; 3.835; 5.255 90; 90; 120 | 66.932 | Peacock, M. A.; Thompson, R. M. On melonite from Quebec and the crystal structure of NiTe2 American Mineralogist, 1946, 31, 204-204 |
| 9000031 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.15 90; 90; 120 | 1048.03 | Ramsdell, L. S. The crystal structure of alpha-SiC, type V American Mineralogist, 1946, 31, 205-205 |
| 9000032 | CIF | Al3 H6 O14 P S Sr | R -3 m :R | 6.89; 6.89; 6.89 60.63; 60.63; 60.63 | 234.573 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite trial C American Mineralogist, 1947, 32, 16-30 |
| 9000033 | CIF | Al3 Ca H6 O14 P S | R -3 m :R | 6.75; 6.75; 6.75 62.07; 62.07; 62.07 | 227.532 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite American Mineralogist, 1947, 32, 16-30 |
| 9000034 | CIF | Al3 H6 K O14 S2 | R -3 m :R | 7.058; 7.058; 7.058 59.08; 59.08; 59.08 | 243.402 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite American Mineralogist, 1947, 32, 16-30 |
| 9000035 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.17 90; 90; 120 | 1048.19 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000036 | CIF | C29 Si29 | R 3 m :H | 3.073; 3.073; 218.65 90; 90; 120 | 1788.16 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000038 | CIF | Al2 Ca2 Fe H O13 Si3 | P 1 21/m 1 | 8.96; 5.63; 10.2 90; 115.4; 90 | 464.799 | Ito, T. The structure of epidote (HCa2(Al,Fe)Al2Si3O13) American Mineralogist, 1947, 32, 309-321 |
| 9000039 | CIF | Cu Fe2 S3 | P c m n | 6.463; 11.117; 6.234 90; 90; 90 | 447.908 | Buerger, M. J. The crystal structure of cubanite American Mineralogist, 1947, 32, 415-425 |
| 9000040 | CIF | Be H Na O8 Si3 | C 1 2/c 1 | 12.62; 7.37; 13.99 90; 103.72; 90 | 1264.07 | Ito, T. The structure of eudidymite (HNaBeSi3O8) Note: this structure does not make any sense American Mineralogist, 1947, 32, 442-453 |
| 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 |
| 9000042 | CIF | Al6 B3 H4 Mg3 Na O31 Si6 | R 3 m :H | 15.951; 15.951; 7.24 90; 90; 120 | 1595.31 | Hamburger, G. E.; Buerger, M. J. The structure of tourmaline American Mineralogist, 1948, 33, 532-540 |
| 9000043 | CIF | B10 H14 | P 1 2/c 1 (c,2*a+c,b) | 14.37; 20.98; 5.69 90; 90; 90 | 1715.44 | Kasper, J. S.; Lucht, C. M.; Harker, D. The crystal structure of decaborane American Mineralogist, 1948, 33, 768-768 |
| 9000044 | CIF | Cu1.4 Te | P 4/n m m :1 | 3.98; 3.98; 6.12 90; 90; 90 | 96.943 | Forman, S. A.; Peacock, M. A. Crystal structure of rickardite, Cu4-xTe2 American Mineralogist, 1949, 34, 441-451 |
| 9000045 | CIF | Cu5 Fe S4 | F 2 3 | 5.47; 5.47; 5.47 90; 90; 90 | 163.667 | Tunell, G.; Adams, C. E. On the symmetry and crystal structure of bornite American Mineralogist, 1949, 34, 824-829 |
| 9000046 | CIF | C | F m m m | 2.456; 4.254; 6.696 90; 90; 90 | 69.959 | Kukesh, J. S.; Pauling, L. The problem of the graphite structure American Mineralogist, 1950, 35, 125-125 |
| 9000047 | CIF | Hg Se | F -4 3 m | 6.084; 6.084; 6.084 90; 90; 90 | 225.2 | Earley, J. W. Description and syntheses of the selenide minerals American Mineralogist, 1950, 35, 337-364 |
| 9000048 | CIF | Ni3 Pb2 S2 | R -3 m :R | 5.576; 5.576; 5.576 60; 60; 60 | 122.59 | Peacock, M. A.; McAndrew, J. On parkerite and shandite and the crystal structure of Ni3Pb2S2 American Mineralogist, 1950, 35, 425-439 |
| 9000049 | CIF | Ag0.2 Au0.8 Te2 | P m a 2 | 16.54; 8.82; 4.46 90; 90; 90 | 650.637 | Tunell, G.; Murata, K. J. The atomic arrangement and chemical composition of krennerite American Mineralogist, 1950, 35, 959-984 |
| 9000050 | CIF | As2 O3 | P 1 21/n 1 | 5.25; 12.87; 4.54 90; 93.82; 90 | 306.075 | Frueh, A. J. The crystal structure of claudetite (monoclinic As2O3) American Mineralogist, 1951, 36, 833-850 |
| 9000051 | CIF | Bi O4 V | P n c a | 5.332; 5.06; 12.02 90; 90; 90 | 324.299 | Qurashi, M. M.; Barnes, W. H. A preliminary structure for pucherite, BiVO4 American Mineralogist, 1952, 37, 423-426 |
| 9000052 | CIF | Au Sb2 | P a -3 | 6.649; 6.649; 6.649 90; 90; 90 | 293.947 | Graham, A. R.; Kaiman, S. Aurostibite, AuSb2; A new mineral in the pyrite group American Mineralogist, 1952, 37, 461-469 |
| 9000053 | CIF | C19 Si19 | P 3 m 1 | 3.079; 3.079; 47.849 90; 90; 120 | 392.846 | Ramsdell, L. S.; Mitchell, R. S. A new hexagonal polymorph of silicon carbide, 19H American Mineralogist, 1953, 38, 56-59 |
| 9000054 | CIF | Bi O4 V | P n c a | 5.332; 5.06; 12.02 90; 90; 90 | 324.299 | Qurashi, M. M.; Barnes, W. H. The structure of pucherite, BiVO4 American Mineralogist, 1953, 38, 489-500 |
| 9000055 | CIF | Al0.4 Ca1.7 K0.1 Mg0.5 Na0.2 O7 Si2 | P -4 21 m | 7.789; 7.789; 5.018 90; 90; 90 | 304.435 | Smith, J. V. Reexamination of the crystal structure of melilite American Mineralogist, 1953, 38, 643-661 |
| 9000056 | CIF | C Ce F O3 | P -6 2 c | 7.16; 7.16; 9.79 90; 90; 120 | 434.65 | Donnay, G.; Donnay, J. D. H. The crystallography of bastnaesite, parasite, roentgenite, and synchisite American Mineralogist, 1953, 38, 932-963 |
| 9000057 | CIF | C3 Ca Ce2 F2 O9 | R 3 :H | 7.12; 7.12; 84.1 90; 90; 120 | 3692.21 | Donnay, G.; Donnay, J. D. H. The crystallography of bastnaesite, parasite, roentgenite, and synchisite American Mineralogist, 1953, 38, 932-963 |
| 9000058 | CIF | C5 Ca2 Ce3 F3 O15 | R 3 :H | 7.13; 7.13; 69.4 90; 90; 120 | 3055.41 | Donnay, G.; Donnay, J. D. H. The crystallography of bastnaesite, parasite, roentgenite, and synchisite American Mineralogist, 1953, 38, 932-963 |
| 9000059 | CIF | Fe0.125 H O2 V0.875 | P b n m | 4.54; 9.97; 3.03 90; 90; 90 | 137.149 | Evans, H. T.; Block, S. The crystal structure of montroseite, a vanadium member of the diaspore group American Mineralogist, 1953, 38, 1242-1250 |
| 9000060 | CIF | Al0.721 Fe0.24 H3 Mg1.338 O9 Si1.36 | C 1 c 1 | 5.33; 9.18; 28.9 90; 97; 90 | 1403.52 | Mathieson, A. M.; Walker, G. F. Crystal structure of magnesium-vermiculite American Mineralogist, 1954, 39, 231-255 |
| 9000061 | CIF | Fe S4 Sb2 | P n a m | 11.44; 14.12; 3.76 90; 90; 90 | 607.363 | Buerger, M. J.; Hahn, T. The crystal structure of berthierite, FeSb2S4 American Mineralogist, 1954, 39, 319-319 |
| 9000062 | CIF | Cu S | P 63/m m c | 3.796; 3.796; 16.36 90; 90; 120 | 204.158 | Berry, L. G. The crystal structure of covellite, CuS and klockmannite, CuSe American Mineralogist, 1954, 39, 504-509 |
| 9000063 | CIF | Cu Se | P 63/m m c | 3.938; 3.938; 17.25 90; 90; 120 | 231.671 | Berry, L. G. The crystal structure of covellite, CuS and klockmannite, CuSe American Mineralogist, 1954, 39, 504-509 |
| 9000065 | CIF | Cu Fe2 S3 | P c m n | 6.46; 11.12; 6.23 90; 90; 90 | 447.533 | Azaroff, L. V.; Buerger, M. J. Refinement of the structure of cubanite, CuFe2S3 American Mineralogist, 1955, 40, 213-225 |
| 9000066 | CIF | Fe S4 Sb2 | P n a m | 11.44; 14.12; 3.76 90; 90; 90 | 607.363 | Buerger, M. J.; Hahn, T. The crystal structure of berthierite, FeSb2S4 American Mineralogist, 1955, 40, 226-238 |
| 9000067 | CIF | Cd S | F -4 3 m | 5.818; 5.818; 5.818 90; 90; 90 | 196.934 | Traill, R. J.; Boyle, R. W. Hawleyite, isometric cadmium sulphide, a new mineral American Mineralogist, 1955, 40, 555-559 |
| 9000068 | CIF | H Mn O7 Pb V | P n m a | 7.663; 6.191; 9.522 90; 90; 90 | 451.739 | Donaldson, D. M.; Barnes, W. H. The structures of the minerals of the descloizite and adelite groups: II - pyrobelonite. American Mineralogist, 1955, 40, 580-596 |
| 9000069 | CIF | Mn O8 Pb2 V2 | B 1 21/m 1 | 7.681; 6.155; 16.524 90; 93.75; 90 | 779.525 | Donaldson, D. M.; Barnes, W. H. The structures of the minerals of the descloizite and adelite groups: III- brackebuschite American Mineralogist, 1955, 40, 597-613 |
| 9000070 | CIF | H O2 V | P b n m | 4.54; 9.97; 3.03 90; 90; 90 | 137.149 | Evans, H. T.; Mrose, M. E. A crystal chemical study of montroseite and paramontroseite. American Mineralogist, 1955, 40, 861-875 |
| 9000071 | CIF | O2 V | P b n m | 4.89; 9.39; 2.93 90; 90; 90 | 134.537 | Evans, H. T.; Mrose, M. E. A crystal chemical study of montroseite and paramontroseite. American Mineralogist, 1955, 40, 861-875 |
| 9000072 | CIF | Br0.36 Cl0.64 Cu6 O7.72 Pb | F m -3 m | 9.21; 9.21; 9.21 90; 90; 90 | 781.23 | Christ, C. L.; Clark, J. R. The crystal structure of murdochite disordered model American Mineralogist, 1955, 40, 907-916 |
| 9000073 | CIF | Br0.36 Cl0.64 Cu6 O7.72 Pb | F m -3 m | 9.21; 9.21; 9.21 90; 90; 90 | 781.23 | Christ, C. L.; Clark, J. R. The crystal structure of murdochite ordered model American Mineralogist, 1955, 40, 907-916 |
| 9000074 | CIF | Al H2 K Mg3 O12 Si3 | C 1 2/m 1 | 5.32; 9.21; 10.16 90; 100.03; 90 | 490.203 | Pabst, A. Redescription of the single layer structure of the micas American Mineralogist, 1955, 40, 967-974 |
| 9000075 | CIF | Al4.95 Ca0.12 Fe1.57 H K0.32 Mg1.48 Na0.35 O30 Si9 | P 6/m c c | 10.17; 10.17; 14.34 90; 90; 120 | 1284.46 | Miyashiro, A. Osumilite, a new silicate mineral, and its crystal structure American Mineralogist, 1956, 41, 104-116 |
| 9000076 | CIF | Fe4.5 Ni4.5 S8 | F m -3 m | 10.03; 10.03; 10.03 90; 90; 90 | 1009.03 | Pearson, A. D.; Buerger, M. J. Confirmation of the crystal structure of pentlandite. American Mineralogist, 1956, 41, 804-805 |
| 9000077 | CIF | Fe3 S4 | R -3 m :H | 3.47; 3.47; 34.5 90; 90; 120 | 359.757 | Erd, R. C.; Evans, H. T.; Richter, D. H. Smythite, a new iron sulfide, and associated pyrrhotite from Indiana American Mineralogist, 1957, 42, 309-333 |
| 9000078 | CIF | Ca H12 O17 Si2 U2 | P 1 21 1 | 15.97; 7.07; 6.68 90; 97.3; 90 | 748.111 | Smith, D. K.; Gruner, J. W.; Lipscomb, W. N. The crystal structure of uranophane [Ca(H3O)2](UO2)2(SiO4)2.3H2O American Mineralogist, 1957, 42, 594-618 |
| 9000079 | CIF | Cu17 S9 | R -3 m :R | 16.16; 16.16; 16.16 13.93; 13.93; 13.93 | 212.849 | Donnay, G.; Donnay, J. D. H.; Kullerud, G. Crystal and twin structure of digenite, Cu9S5 American Mineralogist, 1958, 43, 228-242 |
| 9000080 | CIF | O4 Si U | I 41/a m d :1 | 6.995; 6.995; 6.263 90; 90; 90 | 306.449 | Fuchs, L. H.; Gebert, E. X-ray studies of synthetic coffinite, thorite and uranothorites American Mineralogist, 1958, 43, 243-248 |
| 9000081 | CIF | O4 Si Th | I 41/a m d :1 | 7.142; 7.142; 6.327 90; 90; 90 | 322.729 | Fuchs, L. H.; Gebert, E. X-ray studies of synthetic coffinite, thorite and uranothorites American Mineralogist, 1958, 43, 243-248 |
| 9000082 | CIF | Ba O5 Si2 | P c m n | 4.63; 7.69; 13.53 90; 90; 90 | 481.732 | Douglass, R. M. The crystal structure of sanbornite, BaSi2O5 American Mineralogist, 1958, 43, 517-536 |
| 9000083 | CIF | C2 Ca Mg O6 | R -3 :H | 4.815; 4.815; 16.119 90; 90; 120 | 323.639 | Steinfink, H.; Sans, F. J. Refinement of the crystal structure of dolomite American Mineralogist, 1959, 44, 679-682 |
| 9000084 | CIF | Ag3 Au Te2 | I 41 3 2 | 10.38; 10.38; 10.38 90; 90; 90 | 1118.39 | Frueh, A. J. The crystallography of petzite, Ag3AuTe2 American Mineralogist, 1959, 44, 693-701 |
| 9000085 | CIF | S Zn | P 63 m c | 3.824; 3.824; 31.2 90; 90; 120 | 395.113 | Evans, H. T.; McKnight, E. T. New wurtzite polytypes from Joplin, Missouri American Mineralogist, 1959, 44, 1210-1218 |
| 9000086 | CIF | S Zn | P 63 m c | 3.82; 3.82; 24.96 90; 90; 120 | 315.429 | Evans, H. T.; McKnight, E. T. New wurtzite polytypes from Joplin, Missouri American Mineralogist, 1959, 44, 1210-1218 |
| 9000087 | CIF | Al0.16 Ca0.872 Ce2.312 Fe0.87 La0.5 Mg0.24 Na0.312 O22 Si3.84 Th0.192 Ti3.48 Y0.16 | C 1 2/m 1 | 13.61; 5.62; 11.63 90; 113.47; 90 | 815.964 | Gottardi, G. The crystal structure of perrierite American Mineralogist, 1960, 45, 1-14 |
| 9000088 | CIF | Co0.027 Fe0.283 Ni0.689 | F m -3 m | 3.549; 3.549; 3.549 90; 90; 90 | 44.701 | Williams, K. L. An association of awaruite with heazlewoodite American Mineralogist, 1960, 45, 450-453 |
| 9000089 | CIF | Co0.027 Fe0.283 Ni0.689 | F m -3 m | 3.545; 3.545; 3.545 90; 90; 90 | 44.55 | Williams, K. L. An association of awaruite with heazlewoodite American Mineralogist, 1960, 45, 450-453 |
| 9000090 | CIF | Co0.039 Cu0.003 Fe0.262 Ni0.695 | F m -3 m | 3.553; 3.553; 3.553 90; 90; 90 | 44.852 | Williams, K. L. An association of awaruite with heazlewoodite American Mineralogist, 1960, 45, 450-453 |
| 9000091 | CIF | O5 V2 | C 1 2/m 1 | 12.17; 2.99; 4.83 90; 98.25; 90 | 173.937 | Evans, H. T.; Mrose, M. E. A crystal chemical study of the vanadium oxide minerals, haggite and doloresite American Mineralogist, 1960, 45, 1144-1166 |
| 9000092 | CIF | O8 V3 | C 1 2/m 1 | 19.64; 2.99; 4.83 90; 103.92; 90 | 275.305 | Evans, H. T.; Mrose, M. E. A crystal chemical study of the vanadium oxide minerals, haggite and doloresite American Mineralogist, 1960, 45, 1144-1166 |
| 9000093 | CIF | Pb4.5 S11 Sb4.5 | B b 21 m | 42.28; 23.46; 8.07 90; 90; 90 | 8004.54 | Born, L.; Hellner, E. A structural proposal for boulangerite American Mineralogist, 1960, 45, 1266-1271 |
| 9000094 | CIF | As B Ca2 H4 O8 | I -4 | 7.11; 7.11; 6.2 90; 90; 90 | 313.423 | Prewitt, C. T.; Buerger, M. J. The crystal structure of cahnite, Ca2BAsO4(OH)4 American Mineralogist, 1961, 46, 1077-1085 |
| 9000095 | CIF | C Ca O3 | R -3 c :H | 4.99; 4.99; 17.0615 90; 90; 120 | 367.916 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000096 | CIF | C Mg O3 | R -3 c :H | 4.633; 4.633; 15.016 90; 90; 120 | 279.132 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000097 | CIF | C Mn O3 | R -3 c :H | 4.7771; 4.7771; 15.664 90; 90; 120 | 309.572 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000098 | CIF | C Fe O3 | R -3 c :H | 4.6887; 4.6887; 15.373 90; 90; 120 | 292.681 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000099 | CIF | C O3 Zn | R -3 c :H | 4.6528; 4.6528; 15.025 90; 90; 120 | 281.692 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000100 | CIF | C Cd O3 | R -3 c :H | 4.9204; 4.9204; 16.298 90; 90; 120 | 341.716 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000101 | CIF | C Co O3 | R -3 c :H | 4.6581; 4.6581; 14.958 90; 90; 120 | 281.075 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000102 | CIF | C Ni O3 | R -3 c :H | 4.5975; 4.5975; 14.723 90; 90; 120 | 269.507 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000103 | CIF | C Ca0.5 Mn0.5 O3 | R -3 c :H | 4.8797; 4.8797; 16.367 90; 90; 120 | 337.509 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates Note: Disordered model American Mineralogist, 1961, 46, 1283-1316 |
| 9000104 | CIF | C Cu O3 | R -3 c :H | 4.796; 4.796; 15.48 90; 90; 120 | 308.361 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000105 | CIF | C2 Ca Mg O6 | R -3 :H | 4.8079; 4.8079; 16.01 90; 90; 120 | 320.504 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000106 | CIF | C2 Cd Mg O6 | R -3 :H | 4.777; 4.777; 15.641 90; 90; 120 | 309.105 | Graf, D. L. Crystallographic tables for the rhombohedral carbonates American Mineralogist, 1961, 46, 1283-1316 |
| 9000107 | CIF | S Zn | F -4 3 m | 5.4093; 5.4093; 5.4093 90; 90; 90 | 158.279 | Skinner, B. J. Unit-cell edges of natural and synthetic sphalerites American Mineralogist, 1961, 46, 1399-1411 |
| 9000108 | CIF | Cd S | F -4 3 m | 5.833; 5.833; 5.833 90; 90; 90 | 198.461 | Skinner, B. J. Unit-cell edges of natural and synthetic sphalerites American Mineralogist, 1961, 46, 1399-1411 |
| 9000109 | CIF | As Fe S | P -1 | 5.744; 5.675; 5.785 90; 112.28; 90 | 174.496 | Morimoto, N.; Clark, L. A. Arsenopyrite crystal-chemical relations From Freiberg, Germany American Mineralogist, 1961, 46, 1448-1469 |
| 9000110 | CIF | Na4 O22 Si8 Ti2 | I 4/m | 10.7269; 10.7269; 7.9476 90; 90; 90 | 914.502 | Peacor, D. R.; Buerger, M. J. The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10 American Mineralogist, 1962, 47, 539-556 |
| 9000111 | CIF | Fe H2 K0.9 Mg3 Mn0.1 O12 Si3 | C 1 2/m 1 | 5.36; 9.29; 10.41 90; 100; 90 | 510.485 | Steinfink, H. Crystal structure of a trioctahedral mica: Phlogopite American Mineralogist, 1962, 47, 886-889 |
| 9000112 | CIF | Ca H2 O2 | P -3 m 1 | 3.585; 3.585; 4.871 90; 90; 120 | 54.216 | Henderson, D. M.; Gutowsky, H. S. A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = -190 C American Mineralogist, 1962, 47, 1231-1251 |
| 9000113 | CIF | Ca H2 O2 | P -3 m 1 | 3.5925; 3.5925; 4.905 90; 90; 120 | 54.823 | Henderson, D. M.; Gutowsky, H. S. A nuclear magnetic resonance determination of the hydrogen positions in Ca(OH)2 T = 25 C American Mineralogist, 1962, 47, 1231-1251 |
| 9000114 | CIF | As2 Fe2 H2 O10 Pb | C c c m | 16.595; 7.58; 12.295 90; 90; 90 | 1546.59 | Finney, J. J. The crystal structure of carminite American Mineralogist, 1963, 48, 1-13 |
| 9000115 | CIF | Al1.2 Cr0.7 H8 Mg5.1 O18 Si3 | C -1 | 5.338; 9.247; 14.435 90; 97.08; 90 | 707.086 | Brown, B. E.; Bailey, S. W. Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite Note: variety called kammererite American Mineralogist, 1963, 48, 42-61 |
| 9000116 | CIF | Cs Fe O6 Si2 | I a -3 d | 13.66; 13.66; 13.66 90; 90; 90 | 2548.9 | Harris, L. A.; Clark, G. W.; Yakel, H. L. A hydrothermally synthesized iron analog of pollucite - Its structure and significance American Mineralogist, 1963, 48, 100-109 |
| 9000117 | CIF | Cu1.8 S | F m -3 m | 5.57; 5.57; 5.57 90; 90; 90 | 172.809 | Morimoto, N.; Kullerud, G. Polymorphism in digenite high-temperature form at T = 80 C American Mineralogist, 1963, 48, 110-123 |
| 9000118 | CIF | C12 Mg3 N4 O12 Si4 | C 1 2 1 | 5.33; 9.18; 17.12 90; 97; 90 | 831.427 | Haase, D. J.; Weiss, E. J.; Steinfink, H. The crystal structure of a hexamethylene-diamine-vermiculite complex American Mineralogist, 1963, 48, 261-270 |
| 9000119 | CIF | Al2 Ca H8 O12 Si2 | P 1 21/c 1 | 10.02; 10.62; 9.84 90; 92.42; 90 | 1046.16 | Fischer, K. F. The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O American Mineralogist, 1963, 48, 664-672 |
| 9000120 | CIF | Al2 Be O4 | P n m a | 9.404; 5.476; 4.427 90; 90; 90 | 227.974 | Farrell, E. F.; Fang, J. H.; Newnham, R. E. Refinement of the chrysoberyl structure American Mineralogist, 1963, 48, 804-810 |
| 9000121 | CIF | Fe0.177 Mn0.12 Nb0.124 O2 Sn0.128 Ta0.438 Ti0.006 W0.001 Zr0.006 | P c a n | 5.731; 4.742; 5.152 90; 90; 90 | 140.013 | Nickel, E. H.; Rowland, J. F.; McAdam, R. C. Ixiolite - a columbite substructure sample M-6591, note that the coordinates have been put into a standard setting American Mineralogist, 1963, 48, 961-979 |
| 9000122 | CIF | Al2 H4 O9 Si2 | C 1 c 1 | 5.15; 8.94; 14.736 90; 103.58; 90 | 659.492 | Bailey, S. W. Polymorphism of the kaolin minerals American Mineralogist, 1963, 48, 1196-1209 |
| 9000123 | CIF | Fe3 S4 | F d -3 m :2 | 9.876; 9.876; 9.876 90; 90; 90 | 963.259 | Skinner, B. J.; Erd, R. C.; Grimaldi, F. S. Greigite, the thio-spinel of iron; a new mineral American Mineralogist, 1964, 49, 543-555 |
| 9000124 | CIF | Al1.8 Ca0.075 H1.333 Na0.15 O13.333 Si4.2 | F d -3 m :2 | 24.74; 24.74; 24.74 90; 90; 90 | 15142.6 | Baur, W. H. On the cation and water positions in faujasite American Mineralogist, 1964, 49, 697-704 |
| 9000125 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.39; 8.213; 9.934 90; 114.03; 90 | 1072.3 | Clark, J. R. The crystal structure of tunellite, SrB6O9(OH)2.3H2O American Mineralogist, 1964, 49, 1549-1568 |
| 9000129 | CIF | Cu H4 O8 P U2 | P 4/n :1 | 6.969; 6.969; 17.306 90; 90; 90 | 840.5 | Ross, M.; Evans, H. T.; Appleman, D. E. Studies of the torbernite minerals (II): The crystal structure of meta-torbernite American Mineralogist, 1964, 49, 1603-1621 |
| 9000130 | CIF | Al3.68 Ca0.76 Cl0.95 K0.08 Na3.16 O24 Si8.4 | I 4/m | 12.06; 12.06; 7.572 90; 90; 90 | 1101.3 | Papike, J. J.; Zoltai, T. The crystal structure of a marialite scapolite American Mineralogist, 1965, 50, 641-655 |
| 9000131 | CIF | Cs O6 U V | P 1 21/a 1 | 10.51; 8.45; 7.32 90; 106.08; 90 | 624.652 | Appleman, D. E.; Evans, H. T. The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and its cesium analogue, Cs2(UO2)2V2O8 American Mineralogist, 1965, 50, 825-842 |
| 9000132 | CIF | Al1.305 Fe1.71 H4 Mg0.645 O9 Si1.34 | C 1 2/m 1 | 5.39; 9.336; 14.166 90; 90; 90 | 712.848 | Shirozu, H.; Bailey, S. W. Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite American Mineralogist, 1965, 50, 868-885 |
| 9000133 | CIF | As Co S | P c a 21 | 5.582; 5.582; 5.582 90; 90; 90 | 173.928 | Giese, R. F.; Kerr, P. F. The crystal structures of ordered and disordered cobaltite ordered, annealed after heating in a vacuum at 450 C American Mineralogist, 1965, 50, 1002-1014 |
| 9000134 | CIF | As Co S | P a -3 | 5.582; 5.582; 5.582 90; 90; 90 | 173.928 | Giese, R. F.; Kerr, P. F. The crystal structures of ordered and disordered cobaltite disordered, annealed after heating in a vacuum to 850 C American Mineralogist, 1965, 50, 1002-1014 |
| 9000135 | CIF | B Na O8 Si3 | C -1 | 7.833; 12.36; 6.803 93.308; 116.352; 92.055 | 587.819 | Appleman, D. E.; Clark, J. R. Crystal structure of reedmergnerite, a boron albite, and its relation to feldspar crystal chemistry American Mineralogist, 1965, 50, 1827-1850 |
| 9000136 | CIF | Fe2 H4 Mn O18 P2 | P -1 | 5.28; 10.66; 7.14 107.92; 110.98; 71.12 | 346.573 | Moore, P. B. The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O American Mineralogist, 1965, 50, 1884-1892 |
| 9000137 | CIF | Fe H2 K O9 S2 | P 1 21/m 1 | 7.908; 5.152; 8.988 90; 102.75; 90 | 357.16 | Graeber, E. J.; Morosin, B.; Rosenzweig, A. The crystal structure of krausite, KFe(SO4)2.H2O American Mineralogist, 1965, 50, 1929-1936 |
| 9000138 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.459; 11.459; 11.459 90; 90; 90 | 1504.67 | Gibbs, G. V.; Smith, J. V. Refinement of the crystal structure of synthetic pyrope refinement D, note that temperature factors reported for Si were labelled incorrectly in the paper American Mineralogist, 1965, 50, 2023-2039 |
| 9000139 | CIF | Fe2 O3 | R -3 c :H | 5.038; 5.038; 13.772 90; 90; 120 | 302.722 | Blake, R. L.; Hessevick, R. E.; Zoltai, T.; Finger, L. W. Refinement of the hematite structure American Mineralogist, 1966, 51, 123-129 |
| 9000140 | CIF | Fe H4 O6 P | P 1 21/n 1 | 5.3; 9.77; 8.73 90; 90.6; 90 | 452.023 | Moore, P. B. The crystal structure of metastrengite and its relationship to strengite and phosphophyllite American Mineralogist, 1966, 51, 168-176 |
| 9000141 | CIF | Fe2.32 Mg4.68 O24 Si8 | C 1 2/m 1 | 9.51; 18.19; 5.33 90; 101.9; 90 | 902.205 | Fischer, K. F. A further refinement of the crystal structure of cummingtonite (Mg,Fe)7(Si4O11)2(OH)2 American Mineralogist, 1966, 51, 814-818 |
| 9000142 | CIF | Cu3 S4 V | P -4 3 m | 5.3912; 5.3912; 5.3912 90; 90; 90 | 156.695 | Trojer, F. J. Refinement of the structure of sulvanite Note: symmetry constraints on B(i,j) reported incorrectly American Mineralogist, 1966, 51, 890-894 |
| 9000143 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.418; 8.562; 5.219 90; 107.58; 90 | 401.189 | Prewitt, C. T.; Burnham, C. W. The crystal structure of jadeite, NaAlSi2O6 American Mineralogist, 1966, 51, 956-975 |
| 9000144 | CIF | C0.83 Al5.32 Ca2.68 Cl0.02 K0.44 Mg0.12 Na0.76 O27.09 S0.15 Si6.68 | I 4/m | 12.169; 12.169; 7.569 90; 90; 90 | 1120.85 | Papike, J. J.; Stephenson, N. C. The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite American Mineralogist, 1966, 51, 1014-1027 |
| 9000145 | CIF | Al4 Ca0.03 Fe0.46 H0.96 K0.02 Li0.12 Mg1.54 Na0.1 O18.48 Si5 | C c c m | 17.083; 9.738; 9.335 90; 90; 90 | 1552.92 | Gibbs, G. V. The polymorphism of cordierite I: The crystal structure of low cordierite American Mineralogist, 1966, 51, 1068-1087 |
| 9000146 | CIF | Al0.57 H1.4 Mg1.705 O7.86 Si1.43 | C 1 2/c 1 | 5.349; 9.255; 28.89 90; 97.12; 90 | 1419.17 | Shirozu, H.; Bailey, S. W. Crystal structure of a two-layer Mg-vermiculite American Mineralogist, 1966, 51, 1124-1143 |
| 9000147 | CIF | Al2 F2 H17.24 O12 P | F d d d :2 | 8.546; 11.222; 21.158 90; 90; 90 | 2029.12 | Guy, B. B.; Jeffrey, G. A. The crystal structure of fluellite, Al2PO4F2(OH).7H2O American Mineralogist, 1966, 51, 1579-1592 |
| 9000148 | CIF | Ca0.32 Ce0.15 La0.14 O4 P0.96 Pb0.01 Si0.04 Th0.33 U0.05 | P 1 21/n 1 | 6.717; 6.92; 6.434 90; 103.83; 90 | 290.393 | Finney, J. J.; Rao, N. N. The crystal structure of cheralite American Mineralogist, 1967, 52, 13-19 |
| 9000149 | CIF | Al0.64 Ca0.98 Fe0.22 Mg0.57 Mn0.01 Na0.01 O6 Si1.5 Ti0.07 | C 1 2/c 1 | 9.794; 8.906; 5.319 90; 105.9; 90 | 446.202 | Peacor, D. R. Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6 American Mineralogist, 1967, 52, 31-41 |
| 9000150 | CIF | Al1.602 Ca H11.333 O16.002 Si4.398 | C 1 m 1 | 17.73; 17.82; 7.43 90; 116.33; 90 | 2103.96 | Merkle, A. B.; Slaughter, M. The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O American Mineralogist, 1967, 52, 273-276 |
| 9000151 | CIF | Al3.37 H8 Mg2.31 O18 Si3.32 | C 1 2/m 1 | 5.237; 9.07; 14.285 90; 97.03; 90 | 673.431 | Eggleton, R. A.; Bailey, S. W. Structural aspects of dioctahedral chlorite American Mineralogist, 1967, 52, 673-689 |
| 9000152 | CIF | Ca Mn O6 Si2 | C 1 2/c 1 | 9.978; 9.156; 5.293 90; 105.48; 90 | 466.019 | Freed, R. L.; Peacor, D. R. Refinement of the crystal structure of johannsenite American Mineralogist, 1967, 52, 709-720 |
| 9000153 | CIF | Al2 Ca2 H2 O12 Si3 | P n c m | 4.646; 5.483; 18.486 90; 90; 90 | 470.913 | Papike, J. J.; Zoltai, T. Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2 American Mineralogist, 1967, 52, 974-984 |
| 9000154 | CIF | Ca Na2 O8 S2 | C 1 2/c 1 | 10.129; 8.306; 8.533 90; 112.19; 90 | 664.724 | Araki, T.; Zoltai, T. Refinement of the crystal structure of a glauberite American Mineralogist, 1967, 52, 1272-1277 |
| 9000155 | CIF | Al0.99 Cs0.7 Na0.3 O6 Si2.01 | I a -3 d | 13.682; 13.682; 13.682 90; 90; 90 | 2561.23 | Newnham, R. E. Crystal structure and optical properties of pollucite American Mineralogist, 1967, 52, 1515-1518 |
| 9000156 | CIF | As H4 Mn3 O8 | P n m a | 9.55; 13.11; 5.25 90; 90; 90 | 657.303 | Moore, P. B. Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4) American Mineralogist, 1967, 52, 1603-1613 |
| 9000157 | CIF | As H4 Mn2 O8 Y | P b a n :2 | 5.67; 12.03; 4.863 90; 90; 90 | 331.706 | Moore, P. B. Crystal chemistry of the basic manganese arsenate minerals 1. The crystal structures of flinkite, Mn2Mn(OH)4(AsO4) and retzian, Mn2Y(OH)4(AsO4) American Mineralogist, 1967, 52, 1603-1613 |
| 9000158 | CIF | H4 Mg3 O9 Si2 | C 1 | 5.335; 9.24; 28.735 90; 90; 90 | 1416.5 | Lister, J. S.; Bailey, S. W. Chlorite polytypism: IV. Regular two-layer structures refined structure American Mineralogist, 1967, 52, 1614-1631 |
| 9000160 | CIF | Ba Ca2 O9 Si3 | P -1 | 6.733; 9.616; 6.723 69.62; 102.33; 96.9 | 398.121 | Dent Glasser, L. S.; Glasser, F. P. The crystal structure of walstromite American Mineralogist, 1968, 53, 9-13 |
| 9000161 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.554; 12.97; 7.207 90; 116.01; 90 | 718.6 | Colville, A. A.; Ribbe, P. H. The crystal structure of an adularia and a refinement of the structure of orthoclase Note: Spencer B, variety adularia American Mineralogist, 1968, 53, 25-37 |
| 9000162 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.561; 12.996; 7.192 90; 116.01; 90 | 719.129 | Colville, A. A.; Ribbe, P. H. The crystal structure of an adularia and a refinement of the structure of orthoclase Spencer C American Mineralogist, 1968, 53, 25-37 |
| 9000163 | CIF | As1.23 Ni S0.77 | P a -3 | 5.7053; 5.7053; 5.7053 90; 90; 90 | 185.71 | Bayliss, P. The crystal structure of disordered gersdorffite American Mineralogist, 1968, 53, 290-293 |
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