Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7241040 | CIF | C34 H24 O2 | P 1 21/n 1 | 6.0757; 16.4664; 11.9301 90; 98.44; 90 | 1180.62 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241041 | CIF | C34 H24 O2 | P -1 | 10.3715; 10.426; 12.2917 92.1911; 108.336; 108.655 | 1181.03 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241042 | CIF | C41 H32 O2 | C 1 2/c 1 | 31.5547; 6.137; 17.2488 90; 119.126; 90 | 2917.9 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241043 | CIF | C34 H24 O2 | P 1 21 1 | 6.0678; 16.401; 11.9151 90; 98.556; 90 | 1172.6 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241044 | CIF | C40 H29 Cl O2 | C 1 2/c 1 | 31.3116; 6.1363; 17.3304 90; 118.835; 90 | 2917 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241086 | CIF | C13 H13 N O | P -1 | 5.923; 8.454; 10.773 78.722; 76.248; 86.236 | 513.8 | Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles Green Chemistry, 2020, 22, 5815-5821 |
| 7241087 | CIF | C44 H36 Ir2 N8 Na2 O23 S4 | P -1 | 10.3801; 12.7791; 22.1745 92.814; 92.689; 104.376 | 2840.6 | Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts Green Chemistry, 2020, 22, 6093-6104 |
| 7241108 | CIF | C24 H28 Cl4 N4 O4 | P 1 21/c 1 | 9.8228; 15.994; 18.5143 90; 104.008; 90 | 2822.2 | Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611 |
| 7241109 | CIF | C24 H26 O6 | P -1 | 9.6496; 12.0424; 19.8345 81.278; 82.463; 70.074 | 2134 | Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611 |
| 7241129 | CIF | C21 H18 N2 O S | P 1 21/n 1 | 11.37; 10.2878; 14.5801 90; 97.519; 90 | 1690.8 | Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade Green Chemistry, 2020, 22, 6334-6339 |
| 7241130 | CIF | C22.75 H22 N3 O1.75 S | P -1 | 4.9241; 14.209; 15.299 90.853; 96.934; 99.1 | 1048.6 | Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade Green Chemistry, 2020, 22, 6334-6339 |
| 7241131 | CIF | C25 H20 N2 S | P 21 21 21 | 5.6915; 12.7636; 26.8264 90; 90; 90 | 1948.78 | Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade Green Chemistry, 2020, 22, 6334-6339 |
| 7241146 | CIF | C54 H52 F4 N4 O12 | P 1 | 8.5574; 9.8938; 14.8351 91.403; 93.658; 97.92 | 1240.8 | Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials Green Chemistry, 2020, 22, 6047-6054 |
| 7241147 | CIF | C24 H36 Cl F2 N O4 | P 21 21 21 | 8.3081; 11.7497; 26.4644 90; 90; 90 | 2583.39 | Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials Green Chemistry, 2020, 22, 6047-6054 |
| 7241148 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.3536; 11.4414; 23.5584 90; 92.688; 90 | 1710.67 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241149 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.27903; 10.62604; 25.7596 90; 91.8497; 90 | 1717.82 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241150 | CIF | C19 H21 B O3 | P 1 21/c 1 | 12.4558; 12.11252; 12.7411 90; 113.325; 90 | 1765.16 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241151 | CIF | C19 H21 B O3 | P 1 21/c 1 | 8.73519; 9.35255; 21.1327 90; 101.428; 90 | 1692.23 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241185 | CIF | C19 H15 Cl F N O8 | P 1 21/n 1 | 8.1097; 14.367; 16.622 90; 98.194; 90 | 1916.9 | Chen, Li; Huang, Rong; Li, Kun; Yun, Xing-Han; Yang, Chang-Long; Yan, Sheng-Jiao An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water Green Chemistry, 2020, 22, 6943-6953 |
| 7241224 | CIF | C21 H17 N O2 | P 21 21 21 | 9.61101; 10.7261; 15.5952 90; 90; 90 | 1607.69 | Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds Green Chemistry, 2020, 22, 7506-7512 |
| 7241225 | CIF | C23 H19 N O2 | P 21 21 21 | 8.4921; 13.5753; 15.0981 90; 90; 90 | 1740.55 | Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds Green Chemistry, 2020, 22, 7506-7512 |
| 7241226 | CIF | C44 H48 O20 | P 1 21 1 | 8.352; 5.7066; 22.623 90; 91.45; 90 | 1077.9 | Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua Electrochemical esterification reaction of alkynes with diols via cleavage of carbon‒carbon triple bonds without catalyst and oxidant Green Chemistry, 2020, 22, 6783-6791 |
| 7241227 | CIF | C22 H21 N O4 S | P 1 21/n 1 | 8.7517; 11.7055; 19.7505 90; 101.925; 90 | 1979.64 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241228 | CIF | C23 H25 Cl2 N O5 S | P 1 21/c 1 | 13.9122; 12.1203; 14.5292 90; 103.724; 90 | 2380 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241229 | CIF | C24 H25 Cl2 N O4 S | P -1 | 10.7314; 10.99; 12.275 71.712; 69.196; 68.46 | 1230.5 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241230 | CIF | C22 H21 N O6 S | P b c a | 9.5153; 17.8775; 24.2427 90; 90; 90 | 4123.9 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241231 | CIF | C16 H19 N O2 S | P 1 21/c 1 | 12.239; 19.008; 20.975 90; 100.52; 90 | 4798 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241232 | CIF | C22 H19 N O3 S | P 1 21/c 1 | 12.0121; 9.9422; 15.9636 90; 99.105; 90 | 1882.5 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241233 | CIF | C21 H19 N O4 S | C 1 2/c 1 | 11.9374; 18.7941; 16.6525 90; 95.525; 90 | 3718.68 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241234 | CIF | C19 H23 N O4 S | P -1 | 9.0842; 11.168; 11.3556 108.185; 106.055; 109.685 | 932 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241235 | CIF | C20 H23 N O4 S | P -1 | 9.489; 10.341; 12.078 75.859; 82.328; 69.425 | 1074.5 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241236 | CIF | C19 H17 N O2 S | P 21 21 21 | 4.9632; 9.9037; 33.603 90; 90; 90 | 1651.72 | Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study Green Chemistry, 2020, 22, 6798-6803 |
| 7241237 | CIF | C11 H13 N5 O5 S2 | C 1 2/c 1 | 28.8618; 7.5904; 14.3121 90; 104.306; 90 | 3038.2 | Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L. Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods. Physical chemistry chemical physics : PCCP, 2020, 22, 20867-20879 |
| 7241295 | CIF | C18 H16 O6 | P -1 | 9.1121; 9.4374; 10.647 95.85; 104.17; 111.98 | 803.9 | Hu, Deqing; Yang, Lu; Wan, Jie-Ping Biaryl and atropisomeric biaryl aldehyde synthesis by one-step, metal-free benzannulation of aryl enals and propiolates Green Chemistry, 2020, 22, 6773-6777 |
| 7241296 | CIF | C20 H11 F3 N3 O | P 1 21/n 1 | 7.5809; 19.0996; 11.1263 90; 104.022; 90 | 1563 | Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics. Physical chemistry chemical physics : PCCP, 2020, 22, 23637-23644 |
| 7241315 | CIF | C24 H20 Cu2 N8 O6 V2 | P -1 | 11.6196; 12.0604; 12.2162 63.651; 75.955; 61.239 | 1343.91 | Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature Green Chemistry, 2020, 22, 7513-7520 |
| 7241334 | CIF | C13 H11 B F4 N2 O | P n a 21 | 10.3539; 10.9951; 11.059 90; 90; 90 | 1258.98 | Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives Green Chemistry, 2020, 22, 7955-7961 |
| 7241345 | CIF | C20 H44 Li2 N2 O4 | P -1 | 8.1303; 8.5936; 9.2306 88.833; 68.333; 89.254 | 599.23 | Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides Green Chemistry, 2020, 22, 7023-7030 |
| 7241346 | CIF | C17 H21 N O2 | P 1 21/n 1 | 13.1208; 7.6644; 15.2725 90; 111.229; 90 | 1431.63 | Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides Green Chemistry, 2020, 22, 7023-7030 |
| 7241361 | CIF | C42 H20 B F24 S8 | P 1 21/c 1 | 10.1692; 22.6293; 20.9402 90; 91.6312; 90 | 4816.8 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241362 | CIF | C7 H10 B11 Br6 S4 | P 1 21/m 1 | 8.1423; 13.7726; 10.2776 90; 92.209; 90 | 1151.68 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241363 | CIF | C85 H50 B2 Cl2 F48 Se8 | P -1 | 13.8745; 14.2009; 26.1484 93.003; 99.251; 106.843 | 4840.1 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241364 | CIF | C42 H24 B F24 Se4 | P -1 | 10.4486; 14.0122; 15.7753 89.036; 83.401; 81.206 | 2267.35 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241365 | CIF | C23 H44 B11 S8 | P -1 | 14.9617; 15.7799; 17.0816 111.658; 101.268; 94.4328 | 3626.2 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241366 | CIF | C12 H16 B11 Br6 Cl2 S8 | P 1 21/c 1 | 11.0183; 11.7862; 26.111 90; 92.046; 90 | 3388.7 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241367 | CIF | C11 H18 B11 Br6 Se4 | P 1 21/c 1 | 8.8819; 21.3136; 15.0603 90; 92.345; 90 | 2848.6 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241368 | CIF | C70 H146 B33 Cl2 Se12 | P 1 21/c 1 | 9.1263; 74.893; 15.658 90; 104.505; 90 | 10361 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241369 | CIF | C11 H18 B11 Br6 S4 | P 1 21/c 1 | 9.0536; 20.5662; 15.0317 90; 96.2939; 90 | 2782 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241370 | CIF | C23 H48 B11 S4 | P -1 | 9.0883; 9.2043; 10.2496 83.788; 76.145; 85.976 | 826.7 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241380 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6059; 10.3846; 17.1139 90; 96.948; 90 | 1871.05 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241381 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6198; 10.3883; 17.0912 90; 97.256; 90 | 1870.4 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241382 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.892; 10.536; 17.354 90; 98.397; 90 | 1970.2 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241383 | CIF | C21 H16 Cl N3 S | P -1 | 8.4738; 9.6099; 12.106 88.37; 69.823; 84.352 | 920.81 | Wang, Guanjie; Wei, Chenlong; Hong, Xianfang; Fu, Zhenqian; Huang, Wei Sodium pyruvate as a peroxide scavenger in aerobic oxidation under carbene catalysis Green Chemistry, 2020, 22, 6819-6826 |
| 7241409 | CIF | C16 H20 N2 O2 | P n m a | 12.863; 7.173; 16.464 90; 90; 90 | 1519.1 | Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines Green Chemistry, 2020, 22, 7832-7838 |
| 7241410 | CIF | C22 H28 N2 O2 | P 42 b c | 20.029; 20.029; 9.929 90; 90; 90 | 3983.1 | Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines Green Chemistry, 2020, 22, 7832-7838 |
| 7241411 | CIF | C27 H47 N7 S2 | P 21 21 21 | 11.9503; 12.9375; 19.6351 90; 90; 90 | 3035.7 | Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines Green Chemistry, 2020, 22, 7832-7838 |
| 7241412 | CIF | C28 H49 N7 O2 | P 1 21/c 1 | 12.003; 19.823; 16.309 90; 111.59; 90 | 3608 | Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines Green Chemistry, 2020, 22, 7832-7838 |
| 7241413 | CIF | C62 H115 N14 O9 | P -1 | 12.8442; 17.5019; 18.6407 63.996; 70.836; 69.475 | 3450.4 | Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines Green Chemistry, 2020, 22, 7832-7838 |
| 7241510 | CIF | C13 H15 F N2 O8 | P -1 | 6.9299; 6.9584; 15.946 99.753; 96.384; 98.812 | 741.41 | Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal CrystEngComm, 2020, 22, 7992-8006 |
| 7241569 | CIF | C14 H24 N4 O8 | P -1 | 9.6037; 9.8432; 10.2613 68.903; 83.98; 68.045 | 838.87 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241570 | CIF | C14 H12 N2 O8 | P -1 | 3.6795; 9.855; 10.425 116.097; 97.436; 97.188 | 329.52 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241571 | CIF | C14 H24 N4 O8 | P -1 | 9.6812; 9.8923; 10.3777 70.346; 83.328; 67.442 | 864.26 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241572 | CIF | C14 H12 N2 O8 | P -1 | 3.7614; 9.8932; 10.4498 116.121; 96.721; 98.409 | 338.11 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241573 | CIF | C10 H18 N4 O4 | P 1 21/c 1 | 6.017; 18.34; 11.778 90; 99.387; 90 | 1282.3 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241574 | CIF | C16 H30 N8 O4 | C 1 2/c 1 | 21.847; 6.9981; 26.359 90; 102.17; 90 | 3939.4 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241575 | CIF | C10 H18 N4 O4 | P 1 21/c 1 | 5.8215; 18.363; 11.592 90; 100.266; 90 | 1219.3 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241576 | CIF | C12 H10 N2 O4 | P -1 | 8.74; 9.849; 13.663 73.285; 72.292; 72.343 | 1042.6 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241577 | CIF | C24 H20 N4 O8 | P -1 | 8.7731; 9.8652; 13.9929 73.741; 72.89; 72.483 | 1079.17 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241578 | CIF | C16 H30 N8 O4 | C 1 2/c 1 | 21.654; 6.948; 25.748 90; 101.148; 90 | 3800.7 | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. Crystallisation of organic salts by sublimation: salt formation from the gas phase CrystEngComm, 2020, 22, 7826-7831 |
| 7241586 | CIF | C9 H8 O4 | P 1 21/n 1 | 6.6967; 5.7405; 20.7844 90; 94.953; 90 | 796.02 | Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials CrystEngComm, 2020, 22, 7847-7857 |
| 7241587 | CIF | C10 H10 O4 | P 1 21/n 1 | 7.2043; 11.578; 11.3815 90; 105.771; 90 | 913.61 | Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials CrystEngComm, 2020, 22, 7847-7857 |
| 7241588 | CIF | C26 H32 O12 | P -1 | 5.3882; 8.4135; 14.8002 77.6; 80.086; 88.273 | 645.49 | Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials CrystEngComm, 2020, 22, 7847-7857 |
| 7241589 | CIF | C20 H20 O8 | P 1 21/c 1 | 8.841; 10.807; 9.978 90; 112.64; 90 | 879.9 | Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials CrystEngComm, 2020, 22, 7847-7857 |
| 7241600 | CIF | C28 H24 N4 O7 Zn | P 1 21/n 1 | 10.792; 18.8461; 13.1548 90; 97.925; 90 | 2649.96 | Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions CrystEngComm, 2020, 22, 7952-7961 |
| 7241601 | CIF | C28 H22 N4 O6 Zn | C 1 2/c 1 | 29.2681; 10.0831; 22.0305 90; 129.908; 90 | 4987.1 | Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions CrystEngComm, 2020, 22, 7952-7961 |
| 7241602 | CIF | C18 H15 Cd N2 O6 | P -1 | 7.482; 8.3416; 14.5588 78.944; 87.671; 76.222 | 866.11 | Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions CrystEngComm, 2020, 22, 7952-7961 |
| 7241603 | CIF | C28 H24 N4 O7 Zn | P -1 | 9.6024; 11.8975; 13.2665 113.334; 103.141; 102.592 | 1272.3 | Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions CrystEngComm, 2020, 22, 7952-7961 |
| 7241648 | CIF | C45 H24 Cl N2 O3 Re | P n m a | 7.2328; 19.384; 25.55 90; 90; 90 | 3582.1 | Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction Green Chemistry, 2020, 22, 8614-8622 |
| 7241650 | CIF | C14 H17 F6 O P Ru | P 21 21 21 | 9.5873; 12.2766; 12.9471 90; 90; 90 | 1523.87 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241651 | CIF | C15 H29 B11 O Ru | P 1 21/c 1 | 9.59; 22.809; 9.636 90; 94.756; 90 | 2100.5 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241652 | CIF | C15 H29 B11 O Ru | P -1 | 8.7042; 10.1448; 12.0722 99.046; 95.893; 96.477 | 1038.1 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241699 | CIF | C13 H11 Na O6 S | P 1 21/c 1 | 16.2484; 11.3597; 8.2456 90; 100.148; 90 | 1498.14 | Zhang, Hui; Wang, Ming; Jiang, Xuefeng Sustainable access to sulfonic acids from halides and thiourea dioxide with air Green Chemistry, 2020, 22, 8238-8242 |
| 7241700 | CIF | C32 H30 Cl2 N2 O5 | C 1 2/c 1 | 16.8614; 19.0598; 8.8881 90; 103.357; 90 | 2779.1 | Zhang, Ming-Zhong; Liu, Long; Gou, Quan; Wang, Qi; Li, Yi; Li, Wan-Ting; Luo, Fei; Yuan, Min; Chen, Tieqiao; He, Wei-Min Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes Green Chemistry, 2020, 22, 8369-8374 |
| 7241704 | CIF | C12 H17 N O2 S | P 21 21 21 | 6.27149; 13.8374; 14.1502 90; 90; 90 | 1227.97 | Scholten, Kevin; Engelage, Elric; Merten, Christian Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions. Physical chemistry chemical physics : PCCP, 2020, 22, 27979-27986 |
| 7241705 | CIF | C26 H26 Cl2 Fe N10 O2 | P 1 21/n 1 | 8.7562; 13.1732; 12.6457 90; 95.04; 90 | 1453.01 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241706 | CIF | C16 H16 Fe I2 N8 O2 | C 1 2/c 1 | 14.9231; 8.4115; 18.7857 90; 108.571; 90 | 2235.3 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241707 | CIF | C18 H20 Fe I2 N8 O2 | P 1 21/c 1 | 8.8231; 11.0729; 13.2703 90; 106.027; 90 | 1246.08 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241708 | CIF | C16 H12 Fe I2 N8 | P 1 21/c 1 | 8.3887; 9.639; 13.2734 90; 99.11; 90 | 1059.73 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241709 | CIF | C34 H32 Cl4 Fe2 N16 O2 | P -1 | 8.1771; 11.2544; 12.1692 91.426; 108.865; 90.318 | 1059.3 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241710 | CIF | C16 H16 Br2 Fe N8 O2 | C 1 2/c 1 | 14.7058; 8.3867; 18.3571 90; 108.439; 90 | 2147.8 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241711 | CIF | C58 H44 Br8 Fe3 N26 | C 1 2/c 1 | 19.931; 12.6943; 30.341 90; 93.819; 90 | 7659.5 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
| 7241736 | CIF | C36 H38 N10 | P 1 21/c 1 | 7.8699; 36.0925; 11.3684 90; 92.524; 90 | 3226 | Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering CrystEngComm, 2020, 22, 8045-8053 |
| 7241737 | CIF | C22 H19 N5 | P 1 21 1 | 7.5794; 5.6975; 21.4258 90; 97.914; 90 | 916.43 | Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering CrystEngComm, 2020, 22, 8045-8053 |
| 7241738 | CIF | C24 H23 N5 | P 1 21 1 | 7.73; 5.6677; 23.0411 90; 91.233; 90 | 1009.23 | Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering CrystEngComm, 2020, 22, 8045-8053 |
| 7241739 | CIF | C21 H23 N5 | P 1 21 1 | 7.9177; 5.9154; 19.843 90; 90.84; 90 | 929.3 | Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering CrystEngComm, 2020, 22, 8045-8053 |
| 7241740 | CIF | C29 H24 N4 | P 1 21/n 1 | 25.715; 5.9027; 31.344 90; 107.76; 90 | 4530.9 | Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering CrystEngComm, 2020, 22, 8045-8053 |
| 7241742 | CIF | C46 H37 Cd Cl I4 S32 | I 41/a :2 | 9.7369; 9.7369; 76.074 90; 90; 90 | 7212.4 | Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling CrystEngComm, 2020, 22, 8054-8062 |
| 7241743 | CIF | C46 H37 Cd Cl I4 S32 | I 1 2/a 1 | 9.6448; 76.132; 9.7076 90; 90.2; 90 | 7128 | Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling CrystEngComm, 2020, 22, 8054-8062 |
| 7241744 | CIF | C46 H37 Cd Cl I4 S32 | I -1 | 9.5531; 9.7052; 76.0688 89.884; 89.917; 89.798 | 7052.6 | Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling CrystEngComm, 2020, 22, 8054-8062 |
| 7241745 | CIF | C8 H12 Cd N2 O2 S4 | P n m a | 13.1254; 13.6595; 8.5225 90; 90; 90 | 1527.97 | Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems CrystEngComm, 2020, 22, 8023-8035 |
| 7241746 | CIF | C10 H22 Cd N6 O S2 | P 1 21/n 1 | 9.7864; 10.9611; 16.022 90; 102.095; 90 | 1680.52 | Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems CrystEngComm, 2020, 22, 8023-8035 |
| 7241747 | CIF | C28 H52 Cd3 N18 S6 | P 21 21 21 | 14.6814; 17.4409; 17.6486 90; 90; 90 | 4519.04 | Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems CrystEngComm, 2020, 22, 8023-8035 |
| 7241752 | CIF | C60 H82 Mn3 N6 O31 | C 1 2/c 1 | 26.891; 16.3784; 20.2907 90; 130.136; 90 | 6832.2 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241753 | CIF | C78 H57 Mn3 N6 O22 | P 1 2/c 1 | 13.706; 10.943; 23.695 90; 106.11; 90 | 3414.3 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241754 | CIF | C62 H44 Mn2 N4 O18 | P -1 | 10.2097; 10.7615; 13.8645 81.129; 79.737; 64.205 | 1344.5 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241755 | CIF | C39 H47 Mn N6 O18 | P -1 | 11.4113; 13.9536; 14.723 105.212; 92.722; 107.323 | 2139.4 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241756 | CIF | C31 H25 Mn2 N3 O12 | P 1 21/c 1 | 12.916; 8.9128; 27.161 90; 98.425; 90 | 3093 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241757 | CIF | C69 H62 Mn3 N6 O23 | C 1 2/c 1 | 28.4052; 16.0847; 19.9257 90; 133.158; 90 | 6641 | Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands CrystEngComm, 2020, 22, 8088-8099 |
| 7241764 | CIF | C16 H80 Cl8 I16 N16 Pb4 | P b c m | 8.759; 9.44; 23.545 90; 90; 90 | 1946.82 | Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure CrystEngComm, 2020, 22, 8063-8071 |
| 7241928 | CIF | C5 H12 | P b c n | 3.7996; 8.2477; 14.205 90; 90; 90 | 445.16 | Liu, X.; Pulham, C. R. Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane CrystEngComm, 2020, 22, 8251-8255 |
| 7241997 | CIF | C13 H38 Mg2 N2 O21 Pt S4 | P n m a | 10.4292; 15.3858; 26.9006 90; 90; 90 | 4316.51 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7241998 | CIF | C10 H32 N2 Ni2 O20 Pt S4 | P -1 | 6.2643; 13.6027; 14.2439 117.142; 92.957; 99.353 | 1054.74 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7241999 | CIF | C10 H16 Cd2 N2 O12 Pt S4 | P -1 | 6.7533; 7.4688; 11.335 103.51; 97.371; 103.462 | 530.45 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7242000 | CIF | C10 H26 Mn2 N2 O17 Pt S4 | C 1 2/c 1 | 25.8063; 10.7668; 23.2567 90; 90.72; 90 | 6461.4 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7242001 | CIF | C10 H16 N2 O12 Pt S4 Sr2 | P -1 | 6.8663; 7.9281; 11.5395 94.147; 101.197; 114.893 | 550.53 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7242002 | CIF | C10 H36 Fe2 N2 O22 Pt S4 | P 1 21/n 1 | 6.319; 13.7134; 16.9778 90; 97.989; 90 | 1456.93 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7242003 | CIF | C10 H32 Co2 N2 O20 Pt S4 | P -1 | 6.2781; 13.6869; 14.2519 117.626; 92.748; 100.521 | 1054.34 | Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand CrystEngComm, 2020, 22, 7838-7846 |
| 7242004 | CIF | C25 H18 N4 O8 Sm | P -1 | 10.5366; 10.7815; 12.2029 97.258; 98.196; 117.932 | 1182.32 | Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline CrystEngComm, 2020, 22, 7877-7887 |
| 7242005 | CIF | C50 H37 Dy2 N8 O16.5 | P -1 | 10.4665; 10.692; 12.2202 96.974; 98.572; 117.604 | 1169.68 | Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline CrystEngComm, 2020, 22, 7877-7887 |
| 7242006 | CIF | C25 H18 N4 O8 Tb | P -1 | 10.4833; 10.712; 12.2096 97.082; 98.465; 117.663 | 1172.06 | Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline CrystEngComm, 2020, 22, 7877-7887 |
| 7242007 | CIF | C25 H18 Eu N4 O8 | P -1 | 10.5279; 10.7664; 12.2112 97.308; 98.164; 117.842 | 1181.5 | Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline CrystEngComm, 2020, 22, 7877-7887 |
| 7242008 | CIF | C25 H18 Gd N4 O8 | P -1 | 10.502; 10.7425; 12.2129 97.093; 98.38; 117.775 | 1176.88 | Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline CrystEngComm, 2020, 22, 7877-7887 |
| 7242015 | CIF | C26 H28 N4 O6 | C 1 2/c 1 | 13.864; 12.086; 14.994 90; 111.62; 90 | 2336 | Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity CrystEngComm, 2020, 22, 8171-8181 |
| 7242016 | CIF | C20 H18 N2 O5 | P 1 21/n 1 | 7.075; 19.857; 12.811 90; 94.991; 90 | 1793 | Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity CrystEngComm, 2020, 22, 8171-8181 |
| 7242017 | CIF | C26 H28 N4 O6 | P -1 | 6.855; 7.642; 24.281 90.019; 92.555; 107.022 | 1214.9 | Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity CrystEngComm, 2020, 22, 8171-8181 |
| 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 |
| 9004171 | CIF | C Al F5 O3 Sr2 | P 1 21/n 1 | 5.45; 8.704; 13.15 90; 98.72; 90 | 616.584 | Hawthorne, F. C. The crystal structure of stenonite and the classification of the aluminofluoride minerals The Canadian Mineralogist, 1984, 22, 245-251 |
| 9004172 | CIF | Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 | P 63 | 12.685; 12.685; 5.179 90; 90; 120 | 721.701 | Hassan, I.; Grundy, H. D. The character of the cancrinite-vishnevite solid-solution series The Canadian Mineralogist, 1984, 22, 333-349 |
| 9004173 | CIF | Fe2 H11 O15 Se3 | P 1 21/c 1 | 16.81; 7.88; 10.019 90; 98.26; 90 | 1313.38 | Hawthorne, F. C. The crystal structure of mandarinoite, Fe2Se3O9.6H2O The Canadian Mineralogist, 1984, 22, 475-480 |
| 9004174 | CIF | H2 O4 W | P m n b | 5.249; 10.711; 5.133 90; 90; 90 | 288.588 | Szymanski, J. T.; Roberts, A. C. The crystal structure of tungstite, WO3.H2O The Canadian Mineralogist, 1984, 22, 681-688 |
| 9006316 | CIF | Fe2 O3 | F d -3 m :2 | 8.33; 8.33; 8.33 90; 90; 90 | 578.01 | Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E. The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: a) idealized Physics and Chemistry of Minerals, 1995, 22, 21-29 |
| 9006317 | CIF | Fe2 O3 | P 41 3 2 | 8.33; 8.33; 8.33 90; 90; 90 | 578.01 | Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E. The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: b) idealized Physics and Chemistry of Minerals, 1995, 22, 21-29 |
| 9006318 | CIF | Fe3 O4 | P 43 21 2 | 8.33; 8.33; 24.99 90; 90; 90 | 1734.03 | Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E. The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: c) idealized, either one of Fe-oct 1-6, or both Fe-oct 6-7 have zero occupancy Physics and Chemistry of Minerals, 1995, 22, 21-29 |
| 9006319 | CIF | Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01 | I a -3 d | 11.533; 11.533; 11.533 90; 90; 90 | 1534.01 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP14 Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006320 | CIF | Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3 | I a -3 d | 11.565; 11.565; 11.565 90; 90; 90 | 1546.81 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP18 Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006321 | CIF | Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01 | I a -3 d | 11.571; 11.571; 11.571 90; 90; 90 | 1549.22 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP12 Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006322 | CIF | Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3 | I a -3 d | 11.663; 11.663; 11.663 90; 90; 90 | 1586.47 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Sample: SBB Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006323 | CIF | Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01 | I a -3 d | 11.787; 11.787; 11.787 90; 90; 90 | 1637.61 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample VOL Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006324 | CIF | Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12 | I a -3 d | 11.967; 11.967; 11.967 90; 90; 90 | 1713.78 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample BRIC Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006325 | CIF | Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01 | I a -3 d | 11.871; 11.871; 11.871 90; 90; 90 | 1672.87 | Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L. Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample GRO Physics and Chemistry of Minerals, 1995, 22, 159-169 |
| 9006326 | CIF | Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 | C 1 2/c 1 | 5.194; 9.013; 20.064 90; 95.8; 90 | 934.458 | Comodi, P.; Zanazzi, P. F. High-pressure structural study of muscovite Sample: K-Ms, P = 0.05 GPa Physics and Chemistry of Minerals, 1995, 22, 170-177 |
| 9006327 | CIF | Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 | C 1 2/c 1 | 5.151; 8.931; 19.399 90; 95.8; 90 | 887.855 | Comodi, P.; Zanazzi, P. F. High-pressure structural study of muscovite Sample: K-Ms, P = 2.80 GPa Physics and Chemistry of Minerals, 1995, 22, 170-177 |
| 9006328 | CIF | Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 | C 1 2/c 1 | 5.165; 8.964; 19.798 90; 95.4; 90 | 912.561 | Comodi, P.; Zanazzi, P. F. High-pressure structural study of muscovite Sample: Na-Ms, P = 0.0001 GPa, in air Physics and Chemistry of Minerals, 1995, 22, 170-177 |
| 9006329 | CIF | Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 | C 1 2/c 1 | 5.13; 8.886; 19.241 90; 95.5; 90 | 873.066 | Comodi, P.; Zanazzi, P. F. High-pressure structural study of muscovite Sample: Na-Ms, P = 2.7 GPa Physics and Chemistry of Minerals, 1995, 22, 170-177 |
| 9006330 | CIF | H2 Mg O2 | P -3 m 1 | 3.14979; 3.14979; 4.7702 90; 90; 120 | 40.986 | Catti, M.; Ferraris, G.; Hull, S.; Pavese, A. Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa Physics and Chemistry of Minerals, 1995, 22, 200-206 |
| 9006331 | CIF | H2 Mg O2 | P -3 m 1 | 3.0698; 3.0698; 4.429 90; 90; 120 | 36.146 | Catti, M.; Ferraris, G.; Hull, S.; Pavese, A. Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 7.8 GPa Physics and Chemistry of Minerals, 1995, 22, 200-206 |
| 9006332 | CIF | H2 Mg O2 | P -3 m 1 | 3.0467; 3.0467; 4.3554 90; 90; 120 | 35.012 | Catti, M.; Ferraris, G.; Hull, S.; Pavese, A. Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa Physics and Chemistry of Minerals, 1995, 22, 200-206 |
| 9006333 | CIF | H2 Mg O2 | P -3 m 1 | 3.0464; 3.0464; 4.3553 90; 90; 120 | 35.004 | Catti, M.; Ferraris, G.; Hull, S.; Pavese, A. Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa, split H site Physics and Chemistry of Minerals, 1995, 22, 200-206 |
| 9006334 | CIF | Ca Fe3 O12 Ti4 | I m -3 | 7.46718; 7.46718; 7.46718 90; 90; 90 | 416.361 | Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B. High-pressure perovskites on the join CaTiO3-FeTiO3 Physics and Chemistry of Minerals, 1995, 22, 251-258 |
| 9006335 | CIF | Fe O3 Ti | R 3 c :H | 5.12334; 5.12334; 13.7602 90; 90; 120 | 312.796 | Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B. High-pressure perovskites on the join CaTiO3-FeTiO3 Physics and Chemistry of Minerals, 1995, 22, 251-258 |
| 9006336 | CIF | Mg0.78 O3 Si1.06 | P 63 c m | 5.073; 5.073; 14.013 90; 90; 120 | 312.314 | Kudoh, Y.; Nagase, T.; Sasaki, S.; Tanaka, M.; Kanzaki, M. Phase F, a new hydrous magnesium silicate synthesized at 1000 C and 17 GPa: Crystal structure and estimated bulk modulus Note: The authors withdrew this structure, it is not Phase-F See PCM 24 (1997) 610 Physics and Chemistry of Minerals, 1995, 22, 295-299 |
| 9006337 | CIF | Mg O3 Si | P b c a | 18.251; 8.814; 5.181 90; 90; 90 | 833.438 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006338 | CIF | Mg O3 Si | P b c a | 18.341; 8.889; 5.219 90; 90; 90 | 850.87 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006339 | CIF | Mg O3 Si | P b c a | 18.413; 8.929; 5.246 90; 90; 90 | 862.493 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006340 | CIF | Mg O3 Si | P b c a | 18.456; 8.96; 5.27 90; 90; 90 | 871.478 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006341 | CIF | Mg O3 Si | P b c n | 9.306; 8.886; 5.36 90; 90; 90 | 443.235 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006342 | CIF | Mg O3 Si | P b c n | 9.315; 8.899; 5.365 90; 90; 90 | 444.727 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
| 9006343 | CIF | Al3 Ca Cl1.12 K0.99 Na2.01 O13.76 S0.44 Si3 | P 63 | 12.784; 12.784; 5.346 90; 90; 120 | 756.647 | Bonaccorsi, E.; Comodi, P.; Merlino, S. Thermal behaviour of davyne-group minerals Sample: T = 293 K Physics and Chemistry of Minerals, 1995, 22, 367-374 |
| 9006344 | CIF | Al3 Ca Cl1.12 K0.99 Na2.01 O13.5 S0.44 Si3 | P 63/m | 12.871; 12.871; 5.371 90; 90; 120 | 770.567 | Bonaccorsi, E.; Comodi, P.; Merlino, S. Thermal behaviour of davyne-group minerals Sample: T = 943 K Physics and Chemistry of Minerals, 1995, 22, 367-374 |
| 9006345 | CIF | Na2 O7 Si3 | C 1 2/c 1 | 8.922; 4.849; 11.567 90; 102.64; 90 | 488.292 | Fleet, M. E.; Henderson, G. S. Soidium trisilicate: A new high-pressure silicate structure (Na2Si[Si2O7]) Physics and Chemistry of Minerals, 1995, 22, 383-386 |
| 9006346 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.58804; 13.00492; 7.19238 90; 116.026; 90 | 721.836 | Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C. Characterization of lattice strain induced by neutron irradiation Sample: Unirradiated Physics and Chemistry of Minerals, 1995, 22, 399-405 |
| 9006347 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.59122; 13.00089; 7.19192 90; 116.009; 90 | 721.938 | Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C. Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 6.3*10^18 n/cm2 Physics and Chemistry of Minerals, 1995, 22, 399-405 |
| 9006348 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.59046; 12.99323; 7.18763 90; 115.99; 90 | 721.135 | Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C. Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 1.26*10^19 n/cm2 Physics and Chemistry of Minerals, 1995, 22, 399-405 |
| 9007490 | CIF | C H2 Cu2 O5 | P 1 21/a 1 | 9.502; 11.974; 3.24 90; 98.75; 90 | 364.347 | Susse, P. Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3 Acta Crystallographica, 1967, 22, 146-151 |
| 9009578 | CIF | Al1.2 Ca1.58 H30 O46.9 Si16.8 | C 1 2/m 1 | 17.646; 17.898; 7.397 90; 116.37; 90 | 2093.09 | Alberti, A. The crystal structure of two clinoptilolites Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 25-37 |
| 9009579 | CIF | Al1.6 H30 Na2.06 O47.56 Si16.4 | C 1 2/m 1 | 17.641; 18.031; 7.402 90; 116.43; 90 | 2108.37 | Alberti, A. The crystal structure of two clinoptilolites Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 25-37 |
| 9009580 | CIF | Al6.3 Ca2.759 H48 K0.215 Na0.677 O51.24 Si11.7 | R -3 m :H | 13.338; 13.338; 23.014 90; 90; 120 | 3545.72 | Merlino, S.; Galli, E.; Alberti, A. The crystal structure of levyne Note: a zeolite mineral Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 117-129 |
| 9009581 | CIF | C2 Cl Mg Na3 O6 | F d -3 :2 | 14.069; 14.069; 14.069 90; 90; 90 | 2784.77 | Dal Negro, A.; Giuseppetti, G.; Tadini, C. Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 158-163 |
| 9009582 | CIF | As2 Cu O4 | P 42/m b c | 8.592; 8.592; 5.573 90; 90; 90 | 411.413 | Pertlik, F. Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4 Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 211-217 |
| 9009583 | CIF | Fe O4 Sb2 | P 42/m b c | 8.59; 8.59; 5.913 90; 90; 90 | 436.309 | Fischer, R.; Pertlik, F. Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4 Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 236-241 |
| 9009584 | CIF | Cu S | P 63/m m c | 3.796; 3.796; 16.36 90; 90; 120 | 204.158 | Kalbskopf, R.; Pertlik, F.; Zemann, J. Verfeinerung der kristallstruktur des covellins, CuS, mit einkristalldaten Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 242-249 |
| 9009585 | CIF | Al0.67 Be2 Ca Fe0.6 H7 Mg1.4 O17 P3 | C 1 2/c 1 | 15.874; 11.854; 6.605 90; 95.43; 90 | 1237.29 | Fanfani, L.; Nunzi, A.; Zananni, P. F.; Zanzari, A. R. The crystal structure of roscherite Tschermaks Mineralogische und Petrographische Mitteilungen, 1975, 22, 266-277 |
| 9009659 | CIF | N Na O3 | R -3 c :H | 5.0718; 5.0718; 16.8336 90; 90; 120 | 375.001 | Ahtee, M.; Nurmela, M.; Suortti, P.; Jarvinen, M. Correction for preferred orientation in Rietveld refinement Sample: II, refined with correction for texture Note: Synthetic sample Journal of Applied Crystallography, 1989, 22, 261-268 |
| 9009895 | CIF | Ni1.5 Se0.5 Te0.5 | P 4/n m m :1 | 3.745; 3.745; 5.779 90; 90; 90 | 81.051 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase A, sample 12 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009896 | CIF | Ni1.4 Se0.5 Te0.5 | P 4/n m m :1 | 3.734; 3.734; 5.757 90; 90; 90 | 80.268 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase A, sample 34 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009897 | CIF | Ni0.99 Se1.01 | P 63/m m c | 3.661; 3.661; 5.356 90; 90; 120 | 62.169 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 83 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009898 | CIF | Ni0.984 Se0.816 Te0.2 | P 63/m m c | 3.722; 3.722; 5.35 90; 90; 120 | 64.186 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 84 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009899 | CIF | Ni0.976 Se0.624 Te0.4 | P 63/m m c | 3.784; 3.784; 5.35 90; 90; 120 | 66.342 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 86 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009900 | CIF | Ni0.98 Se0.51 Te0.51 | P 63/m m c | 3.822; 3.822; 5.35 90; 90; 120 | 67.681 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 85 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009901 | CIF | Ni0.966 Se0.4 Te0.634 | P 63/m m c | 3.854; 3.854; 5.35 90; 90; 120 | 68.819 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 87 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009902 | CIF | Ni0.96 Se0.2 Te0.84 | P 63/m m c | 3.909; 3.909; 5.35 90; 90; 120 | 70.797 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 89 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009903 | CIF | Ni0.958 Te1.042 | P 63/m m c | 3.969; 3.969; 5.358 90; 90; 120 | 73.096 | Rost, E.; Vestersjo, E. On the system Ni-Se-Te Note: Phase F, sample 90 Acta Chemica Scandinavica, 1968, 22, 2118-2134 |
| 9009904 | CIF | Cl Hg2 O | C 1 2/c 1 | 19.515; 5.915; 9.478 90; 143.81; 90 | 646.002 | Aurivillius, K.; Folkmarson, L. The crystal structure of terlinguaite Hg4O2Cl2 Acta Chemica Scandinavica, 1968, 22, 2529-2540 |
| 9011063 | CIF | O3 S | P 21 n b | 5.191; 10.82; 12.384 90; 90; 90 | 695.567 | McDonald, W. S.; Cruickshank, D. W. J. A refinement of the structure of S3O9 Acta Crystallographica, 1967, 22, 48-51 |
| 9011064 | CIF | Al H24 Na O20 S2 | P a -3 | 12.213; 12.213; 12.213 90; 90; 90 | 1821.66 | Cromer, D. T.; Kay, M. I.; Larson, A. C. Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic Acta Crystallographica, 1967, 22, 182-187 |
| 9011066 | CIF | C7 H4 O | P 1 21/a 1 | 15.81; 3.942; 7.895 90; 102.72; 90 | 479.964 | Prakash, A. Refinement of the crystal structure of anthraquinone Acta Crystallographica, 1967, 22, 439-440 |
| 9011067 | CIF | Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 | A -1 | 5.36; 11.76; 21.07999 85.13; 90; 103.22 | 1288.61 | Woodrow, P. J. The crystal structure of astrophyllite Acta Crystallographica, 1967, 22, 673-678 |
| 9011068 | CIF | Mn | I -4 3 m | 8.9125; 8.9125; 8.9125 90; 90; 90 | 707.944 | Gazzara, C. P.; Middleton, R. M.; Weiss, R. J.; Hall, E. O. A refinement of the parameters of alpha manganese Localilty: synthetic Sample: at T = 298K Acta Crystallographica, 1967, 22, 859-862 |
| 9011772 | CIF | Al0.33 Ca0.04 Fe1.39 H2 K0.78 Mg0.61 O12 Si3.67 | C 1 2/m 1 | 5.2; 9; 10.25 90; 100.1; 90 | 472.266 | Zhukhlistov, A. P.; Zvyagin, B. B.; Lazarenko, E. K.; Pavlishin, V. I. Refinement of the crystal structure of ferrous seladonite Kristallografiya, 1977, 22, 498-504 |
| 9011868 | CIF | B2 Ca H10 O9 | P -1 | 7.845; 6.525; 8.124 111.62; 111.19; 73.44 | 354.887 | Kazanskaya, E. V.; Chemodina, T. N.; Egorov-Tismenko Y K; Simonov, M. A.; Belov, N. V. Refined crystal structure of pentahydroborite Ca(B2O(OH)6)*(H2O)2 Soviet Physics Crystallography, 1977, 22, 35-36 |
| 9011869 | CIF | Cu1.6 Hg0.875 S4 Sn Zn0.28 | I -4 2 m | 5.542; 5.542; 10.908 90; 90; 90 | 335.026 | Kaplunnik, L. N.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of velikite Cu3.75Hg1.75Sn2S8 Soviet Physics Crystallography, 1977, 22, 99-100 |
| 9011870 | CIF | B3 Ca2 Cl H4 O8 | P 1 1 21/b | 7.975; 12.571; 7.237 90; 90; 86.14 | 723.89 | Yamnova, N. A.; Simonov, M. A.; Belov, N. V. Refined crystal structure of solongoite Ca2[B3O4(OH)4]Cl Soviet Physics Crystallography, 1977, 22, 356-357 |
| 9011871 | CIF | Bi Fe2 H O9 Si2 | C 1 m 1 | 5.21; 9.02; 7.74 90; 100.667; 90 | 357.45 | Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Soviet Physics Crystallography, 1977, 22, 419-423 |
| 9011872 | CIF | Fe2 H O9 Sb Si2 | C 1 m 1 | 5.19; 8.99; 7.7 90; 100.67; 90 | 353.056 | Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Note: z(O3) corrected Soviet Physics Crystallography, 1977, 22, 419-423 |
| 9011895 | CIF | Na5 O13 P Si2 Ti2 | P -1 | 5.49; 7.11; 14.5 101; 96; 90 | 552.434 | Belov, N. V.; Gavrilova, G. S.; Solov'eva, L. P.; Khalilov, A. D. The refined structure of lomonosovite Soviet Physics Doklady, 1977, 22, 422-424 |
| 9011896 | CIF | B5 Ca2 Cl H2 O10 | P 1 | 6.463; 6.564; 6.302 61.63; 118.77; 105.78 | 205.878 | Rumanova, I. M.; Iorysh, Z. I.; Belov, N. V. Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O = Ca2[B3±B2deltaO9]Cl*H2O Soviet Physics Doklady, 1977, 22, 460-462 |
| 9012000 | CIF | Cl3 Fe | R -3 :H | 6.065; 6.065; 17.42 90; 90; 120 | 554.933 | Hashimoto, S.; Forster, K.; Moss, S. C. Structure refinement of an FeCl3 crystal using a thin plate sample Journal of Applied Crystallography, 1988, 22, 173-180 |
| 9012136 | CIF | Ca10.115 Mg0.385 O28 P7 | R 3 c :H | 10.401; 10.401; 37.316 90; 90; 120 | 3496.04 | Schroeder, L. W.; Dickens, B.; Brown, W. E. Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances Journal of Solid State Chemistry, 1977, 22, 253-262 |
| 9012137 | CIF | Ca9.5 Mg O28 P7 | R 3 c :H | 10.337; 10.337; 37.068 90; 90; 120 | 3430.2 | Schroeder, L. W.; Dickens, B.; Brown, W. E. Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg Journal of Solid State Chemistry, 1977, 22, 253-262 |
| 9012382 | CIF | Pd5 Sb2 | P 63 c m | 7.606; 7.606; 13.863 90; 90; 120 | 694.545 | El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals, 1970, 22, 445-458 |
| 9012383 | CIF | As2 Ni5 | P 63 c m | 6.825; 6.825; 12.513 90; 90; 120 | 504.774 | El-Boragy M; Bhan, S.; Schubert, K. Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten Journal of the Less-Common Metals, 1970, 22, 445-458 |
| 9012512 | CIF | Fe O4 P | P 31 2 1 | 5.036; 5.036; 11.255 90; 90; 120 | 247.199 | Long, G. J.; Cheetham, A. K.; Battle, P. D. Study of the iron-phosphorus-oxygen system by Mossbauer effect, neutron diffraction, magnetic susceptibility, and analytical electron microscopy: some pitfalls and solutions in the analysis of a complex mixture Inorganic Chemistry, 1983, 22, 3012-3016 |
| 9012534 | CIF | Mg3 O8 P2 | P 1 21/n 1 | 7.5957; 8.2305; 5.0775 90; 94.05; 90 | 316.634 | Nord, A. G.; Kierkegaard, P. The crystal structure of Mg3(PO4)2 Acta Chemica Scandinavica, 1968, 22, 1466-1474 |
| 9012613 | CIF | Cr | P m -3 | 4.588; 4.588; 4.588 90; 90; 90 | 96.576 | Kimoto, K.; Nishida, I. An electron diffraction study on the crystal structure of a new modification of chromium Journal of the Physical Society of Japan, 1967, 22, 744-756 |
| 9013391 | CIF | C5 H8 | P -4 21 c | 6.6; 6.6; 8.81 90; 90; 90 | 383.764 | Donohue, J.; Goodman, S. H. The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase Acta Crystallographica, 1967, 22, 352-354 |
| 9014006 | CIF | Ni3 Sn | P m -3 m | 3.738; 3.738; 3.738 90; 90; 90 | 52.23 | Cannon, F. C. Effect of high pressure on the structure of AB3-type layered compounds Materials Research Society Symposia Proceedings, 1984, 22, 113-116 |
| 9014138 | CIF | Ca H10 K2 O15 Si4 | P 1 21/n 1 | 6.4934; 6.9919; 32.087 90; 94.68; 90 | 1451.93 | Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555 |
| 9014255 | CIF | Al H24 K1.3 O20 S2 | P a -3 | 12.157; 12.157; 12.157 90; 90; 90 | 1796.71 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014357 | CIF | As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 | I 41/a m d :2 | 7.2591; 7.2591; 6.4255 90; 90; 90 | 338.589 | Cadoni, M.; Ciriotti, M. E.; Ferraris, G. Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure Rendiconti Lincei Scienze Fisiche e Naturali, 2011, 22, 307-314 |
| 9014369 | CIF | Na11 O14 Si4 Ti4 | P 42/m b c | 10.6772; 10.6772; 11.885 90; 90; 90 | 1354.92 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample Chemistry of Materials, 2010, 22, 4222-4231 |
| 9014399 | CIF | Ba2 Cu O7 Si2 | P -4 21 m | 8.284; 8.284; 5.313 90; 90; 90 | 364.603 | Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36 |
| 9014506 | CIF | Ba0.821 Cu O10 Si4 Sr0.179 | P 4/n c c :2 | 7.41932; 7.41932; 16.0402 90; 90; 90 | 882.954 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014633 | CIF | Al1.85 Fe2.958 Mg0.928 Mn Na2.362 O24 P6 | P 1 21/n 1 | 11.91; 12.383; 6.372 90; 114.43; 90 | 855.614 | Hatert, F.; Baijot, M.; Philippo, S.; Wouters, J. Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil European Journal of Mineralogy, 2010, 22, 459-467 |
| 9014635 | CIF | Ba O10 Si3 Yb2 | P 1 21/m 1 | 5.377; 12.1172; 6.79 90; 106.5; 90 | 424.179 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9014690 | CIF | Ba0.276 Cu O10 Si4 Sr0.724 | P 4/n c c :2 | 7.37735; 7.37735; 15.7266 90; 90; 90 | 855.925 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014777 | CIF | Ca0.2 F O12 P3 Sr4.8 | P 63/m | 9.845; 9.845; 7.383 90; 90; 120 | 619.719 | Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S. Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia European Journal of Mineralogy, 2010, 22, 869-874 |
| 9014781 | CIF | Al H24 O20 Rb S2 | P a -3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.12 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9014924 | CIF | Ba0.105 Cu O10 Si4 Sr0.895 | P 4/n c c :2 | 7.36858; 7.36858; 15.6346 90; 90; 90 | 848.896 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014975 | CIF | Ba0.636 Cu O10 Si4 Sr0.364 | P 4/n c c :2 | 7.403; 7.403; 15.9357 90; 90; 90 | 873.347 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9014993 | CIF | C H5 Cl Mg2 O6 | R 3 c :H | 22.6791; 22.6791; 7.22336 90; 90; 120 | 3217.52 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite Powder Diffraction, 2007, 22, 64-67 |
| 9015079 | CIF | Ba0.193 Cu O10 Si4 Sr0.807 | P 4/n c c :2 | 7.3752; 7.3752; 15.6902 90; 90; 90 | 853.446 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015144 | CIF | Al3 As2 H6 La O14 | R -3 m :H | 7.0316; 7.0316; 16.5151 90; 90; 120 | 707.164 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M. Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure European Journal of Mineralogy, 2010, 22, 613-621 |
| 9015184 | CIF | Ba0.402 Cu O10 Si4 Sr0.598 | P 4/n c c :2 | 7.38801; 7.38801; 15.8265 90; 90; 90 | 863.853 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015338 | CIF | Ba Cu O10 Si4 | P 4/n c c :2 | 7.43602; 7.43602; 16.1302 90; 90; 90 | 891.91 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015346 | CIF | Ni Ti0.885 | P -3 | 7.3715; 7.3715; 5.302 90; 90; 120 | 249.507 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015384 | CIF | Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5 | C c c m | 17.0046; 9.73133; 9.31989 90; 90; 90 | 1542.23 | Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A. Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia European Journal of Mineralogy, 2010, 22, 565-575 |
| 9015468 | CIF | C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 | P 63 | 12.695; 12.695; 5.325 90; 90; 120 | 743.217 | Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y. Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy European Journal of Mineralogy, 2010, 22, 113-119 |
| 9015581 | CIF | Ni0.106 Ti0.942 | P m -3 m | 3.0191; 3.0191; 3.0191 90; 90; 90 | 27.519 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015733 | CIF | Ni Ti0.921 | P 1 1 21/m | 2.92617; 4.17272; 4.69631 90; 90; 97.4036 | 56.864 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015737 | CIF | Ba0.492 Cu O10 Si4 Sr0.508 | P 4/n c c :2 | 7.38813; 7.38813; 15.8516 90; 90; 90 | 865.251 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015747 | CIF | Fe2 H2 O17 P4 Pb3 | P 41 21 2 | 9.044; 9.044; 16.766 90; 90; 90 | 1371.36 | Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E. Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C European Journal of Mineralogy, 2010, 22, 595-604 |
| 9015853 | CIF | Cu O10 Si4 Sr | P 4/n c c :2 | 7.36657; 7.36657; 15.5844 90; 90; 90 | 845.709 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015918 | CIF | Ba O10 Sc2 Si3 | P 1 21/m 1 | 5.273; 11.9181; 6.591 90; 107.06; 90 | 395.98 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016010 | CIF | Cu3 H2 Mo2 O10 | P 1 21/n 1 | 5.3867; 14.001; 5.601 90; 98.535; 90 | 417.745 | Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y. Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting Chemical Research in Chinese Universities, 2006, 22, 679-683 |
| 9016047 | CIF | Ba Er2 O10 Si3 | P 1 21/m 1 | 5.389; 12.163; 6.84 90; 106.47; 90 | 429.941 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016099 | CIF | D4 Na3 O10 Si Ti2 | P 42/m c m | 7.8099; 7.8099; 11.956 90; 90; 90 | 729.251 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016155 | CIF | D4 Na O9 Si Ti2 | P 42/m c m | 7.88; 7.88; 11.953 90; 90; 90 | 742.214 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016202 | CIF | Ba Gd2 O10 Si3 | P 1 21/m 1 | 5.435; 12.241; 6.932 90; 106.26; 90 | 442.738 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
| 9016220 | CIF | Ca H7 K O13 Si4 | P 1 21/c 1 | 6.4897; 6.9969; 26.714 90; 94.597; 90 | 1209.12 | Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R. Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family European Journal of Mineralogy, 2010, 22, 547-555 |
| 9016237 | CIF | Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 | P 63/m m c | 2.6939; 2.6939; 4.2732 90; 90; 120 | 26.856 | McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J. Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic European Journal of Mineralogy, 2010, 22, 293-304 |
| 9016292 | CIF | Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 | P 1 2/c 1 | 4.784; 5.693; 5.12 90; 91.15; 90 | 139.417 | Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E. Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway European Journal of Mineralogy, 2010, 22, 309-316 |
| 9016346 | CIF | Al H24 N O20 S2 | P a -3 | 12.24; 12.24; 12.24 90; 90; 90 | 1833.77 | Larson, A. C.; Cromer, D. T. Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O Acta Crystallographica, 1967, 22, 793-800 |
| 9016397 | CIF | Al3 Be2 F2 K0.983 Na6.017 O39 Si15 | P -3 m 1 | 14.386; 14.386; 4.873 90; 90; 120 | 873.388 | Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G. Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway European Journal of Mineralogy, 2010, 22, 875-880 |
| 9016521 | CIF | Cu4 H6 O10 S | P 1 21/a 1 | 13.1117; 9.8654; 6.0307 90; 103.255; 90 | 759.302 | Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S. Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite European Journal of Mineralogy, 2010, 22, 453-457 |
| 9016530 | CIF | O10 Si3 Sr Y2 | P -1 | 6.757; 6.885; 9.273 72.42; 86.37; 88.37 | 410.405 | Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E. Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit European Journal of Mineralogy, 2010, 22, 245-258 |
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