Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7236958 | CIF | C33 H27 Ir N2 O6 | C 1 2/c 1 | 14.3281; 19.2115; 10.7242 90; 111.511; 90 | 2746.4 | Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices Journal of Materials Chemistry C, 2017, 5, 12221 |
| 7236959 | CIF | C34 H36 O2 | I b c a | 16.6206; 17.1087; 18.788 90; 90; 90 | 5342.5 | Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching Journal of Materials Chemistry C, 2017, 5, 12785 |
| 7236960 | CIF | C34 H36 O2 | P 1 21/c 1 | 13.6584; 5.7107; 36.606 90; 100.414; 90 | 2808.2 | Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching Journal of Materials Chemistry C, 2017, 5, 12785 |
| 7236961 | CIF | C56 H36 N2 | P 1 21/c 1 | 18.8041; 12.7049; 19.0559 90; 112.425; 90 | 4208.3 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236962 | CIF | C58 H44 O3 | C 1 2/c 1 | 22.5855; 15.8549; 11.8676 90; 92.183; 90 | 4246.6 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236963 | CIF | C56 H38 N2 | C 1 2/c 1 | 14.0044; 12.8632; 22.7228 90; 92.288; 90 | 4090.05 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236964 | CIF | C53 H38 O | P -1 | 10.7918; 10.8195; 17.2771 76.359; 81.029; 74.809 | 1882.35 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236965 | CIF | C60 H36 N4 | P -1 | 7.9503; 16.0571; 17.4515 80.314; 88.214; 84.116 | 2184.29 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236966 | CIF | C56 H45 O2.75 | P 1 21/n 1 | 12.1439; 9.0734; 37.6521 90; 90.014; 90 | 4148.8 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236967 | CIF | C26 H15 N O2 | P 1 21/n 1 | 16.073; 8.073; 16.193 90; 117.877; 90 | 1857.3 | Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process Journal of Materials Chemistry C, 2017, 5, 12031 |
| 7236968 | CIF | C26 H15 N O2 | P 1 21/n 1 | 13.7811; 3.8536; 35.911 90; 94.057; 90 | 1902.34 | Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process Journal of Materials Chemistry C, 2017, 5, 12031 |
| 7236972 | CIF | C76 H2.5 O8 | P 21 21 21 | 8.273; 25.4125; 28.576 90; 90; 90 | 6007.8 | Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal Journal of Materials Chemistry C, 2017, 5, 12349 |
| 7236973 | CIF | C19 H12 Br N O | P 1 21/n 1 | 11.5066; 10.2017; 12.3497 90; 95.332; 90 | 1443.4 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236974 | CIF | C19 H12 Br N O | P 1 21/n 1 | 8.2389; 9.5522; 18.47 90; 91.861; 90 | 1452.8 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236975 | CIF | C19 H12 Br N O | I 1 2/a 1 | 21.5976; 7.7186; 18.3872 90; 110.435; 90 | 2872.3 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236979 | CIF | C34 H39 N2 O4 | P -1 | 12.739; 14.079; 17.519 104.99; 103.277; 91.369 | 2942.4 | Akita, Takuya; Kiyohara, Daichi; Yamazaki, Taira; Uchida, Yoshiaki; Nishiyama, Norikazu Large negative magneto-LC effects induced by racemic dimerization of liquid crystalline nitroxide radicals with a terminal cyano group Journal of Materials Chemistry C, 2017, 5, 12457 |
| 7236982 | CIF | C24 H20 B F2 N O3 | P 1 21/n 1 | 11.151; 13.828; 13.934 90; 112.2; 90 | 1989.3 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236983 | CIF | C18 H16 B F2 N O2 | C 1 2/c 1 | 21.231; 9.2009; 16.416 90; 105.76; 90 | 3086.2 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236984 | CIF | C22 H19 B2 F4 N O4 | P 42/n :2 | 23.179; 23.179; 7.6814 90; 90; 90 | 4127 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236997 | CIF | C25 H23 N O5 S | P 1 n 1 | 11.6942; 7.069; 13.1573 90; 101.21; 90 | 1066.91 | Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis Journal of Materials Chemistry C, 2017, 5, 12602 |
| 8000197 | CIF | C144 H162 Ag6.66 Au18.34 S18 | P -1 | 16.191; 17.244; 18.613 105.871; 106.252; 90.74 | 4776 | Kumara, Chanaka; Aikens, Christine M.; Dass, Amala X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy The Journal of Physical Chemistry Letters, 2014, 5, 461 |
| 8000198 | CIF | C14 H12.8 N4 O1.4 | P 1 21/c 1 | 8.761; 16.167; 9.689 90; 108.314; 90 | 1302.8 | Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond The Journal of Physical Chemistry Letters, 2014, 5, 92 |
| 8000199 | CIF | C14 H12 N4 O | P -1 | 7.5326; 9.6002; 10.1649 99.619; 109.189; 109.599 | 621.42 | Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond The Journal of Physical Chemistry Letters, 2014, 5, 92 |
| 8000200 | CIF | C14 H3 F7 O2 | P 21 21 21 | 4.4782; 11.8813; 21.849 90; 90; 90 | 1162.5 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000201 | CIF | C44 Cs Er F52 O8 | P n n a | 26.1476; 14.1409; 14.6773 90; 90; 90 | 5426.9 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000202 | CIF | C58 H14 Cs Er F28 O8 | C 1 2/c 1 | 26.905; 8.464; 24.2743 90; 107.21; 90 | 5280.3 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000203 | CIF | C56 Cs Er F28 O12 | P -1 | 13.2677; 14.96; 15.5993 99.293; 101.038; 115.265 | 2643.1 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000206 | CIF | C46 H54 O2 S4 | P -1 | 5.8691; 14.2212; 14.2606 113.921; 100.286; 93.039 | 1060.1 | Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters, 2014, 5, 2171 |
| 8000207 | CIF | C23 H27 O S2 | P -1 | 10.0773; 12.626; 17.705 82.176; 77.112; 76.89 | 2130 | Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters, 2014, 5, 2171 |
| 8000208 | CIF | C32 H36 N2 | P -1 | 6.202; 8.602; 12.334 83.36; 79.79; 73.78 | 620.3 | Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine The Journal of Physical Chemistry Letters, 2014, 5, 2781 |
| 9005119 | CIF | Al0.16 Ca0.764 F0.33 Fe0.24 H1.67 K0.21 Mg4.22 Mn0.802 Na1.574 O23.67 Si7.92 | C 1 2/m 1 | 9.891; 18.018; 5.276 90; 104.15; 90 | 911.739 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(1) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005120 | CIF | Al0.14 Ca0.75 F0.34 Fe0.24 H1.66 K0.2 Mg4.28 Mn0.81 Na1.62 O23.66 Si7.9 | C 1 2/m 1 | 9.892; 18.027; 5.278 90; 104.09; 90 | 912.873 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(2) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005121 | CIF | Al0.2 Ca0.88 F0.3 Fe0.24 H1.7 K0.24 Mg4.28 Mn0.75 Na1.5 O23.7 Si7.84 | C 1 2/m 1 | 9.909; 18.03; 5.278 90; 104.23; 90 | 914.03 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(3) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005122 | CIF | Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 | C 1 2/m 1 | 9.966; 18.066; 5.279 90; 104.4; 90 | 920.601 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(4) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005123 | CIF | Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 | C 1 2/m 1 | 9.974; 18.078; 5.282 90; 104.36; 90 | 922.641 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(5) using occupancies from MR(4) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005124 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.051; 12.051; 12.051 90; 90; 90 | 1750.13 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 100K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005125 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.056; 12.056; 12.056 90; 90; 90 | 1752.31 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 200K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005126 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.063; 12.063; 12.063 90; 90; 90 | 1755.36 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 293K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005127 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.068; 12.068; 12.068 90; 90; 90 | 1757.54 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 350K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005128 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.081; 12.081; 12.081 90; 90; 90 | 1763.23 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005129 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.476; 11.476; 11.476 90; 90; 90 | 1511.37 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005130 | CIF | Ca H2 K Mg5 Na O24 Si8 | C 1 2/m 1 | 10.0547; 17.997; 5.2746 90; 104.832; 90 | 922.66 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_0 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005131 | CIF | Ca0.5 H2 K Mg5 Na O24 Si8 Sr0.5 | C 1 2/m 1 | 10.1063; 18.056; 5.2717 90; 105.168; 90 | 928.464 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_50 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005132 | CIF | H2 K Mg5 Na O24 Si8 Sr | C 1 2/m 1 | 10.1534; 18.115; 5.2723 90; 105.421; 90 | 934.816 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_100 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005133 | CIF | Cd In2 Na O12 P3 | C 1 2/c 1 | 12.519; 12.959; 6.575 90; 115.17; 90 | 965.405 | Antenucci, D.; Miehe, G.; Tarte, P.; Schmahl, W. W.; Fransolet, A.-M. Combined X-ray Rietveld, infrared and Raman study of a new synthetic variety of alluaudite, NaCdIn2(PO4)3 European Journal of Mineralogy, 1993, 5, 207-213 |
| 9005134 | CIF | Ga3 K0.9 Na2.1 O12 Si3 | P 63 | 8.8169; 8.8169; 8.3873 90; 90; 120 | 564.657 | Barbier, J.; Liu, B.; Weber, J. Crystal chemistry of the (Na,K)GaSiO4 system Note: kalsilite structure European Journal of Mineralogy, 1993, 5, 297-305 |
| 9005135 | CIF | Al2.1 Ba0.9 H9.3 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 | P 1 21/m 1 | 6.79; 17.581; 7.735 90; 94.5; 90 | 920.519 | Cabella, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G. First occurrence of a Ba-dominant brewsterite: structural features European Journal of Mineralogy, 1993, 5, 353-360 |
| 9005136 | CIF | Al1.49 Ca0.01 Cl0.03 F0.99 Fe2.02 H0.98 K0.92 Li0.33 Mg0.03 Mn0.07 Na0.09 O10.98 Rb0.01 Si2.98 | C 1 2/m 1 | 5.3655; 9.293; 10.198 90; 100.47; 90 | 500.022 | Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S. W. Refinement of the crystal structures of two "protolithionites" Sample : 1M European Journal of Mineralogy, 1993, 5, 493-502 |
| 9005137 | CIF | Al1.71 Ca0.01 F1.06 Fe1.59 H0.94 K0.92 Li0.37 Mn0.03 Na0.03 O10.94 Rb0.04 Si2.97 | P 31 1 2 | 5.309; 5.309; 29.818 90; 90; 120 | 727.838 | Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S. W. Refinement of the crystal structures of two "protolithionites" Sample : 3T Note: x-coordinate of M3 changed in order to obey symmetry constraints European Journal of Mineralogy, 1993, 5, 493-502 |
| 9005138 | CIF | C2 H3 Ca O8 Y | P 41 21 2 | 7.434; 7.434; 21.793 90; 90; 90 | 1204.38 | Romming, C.; Kocharian, A. K.; Raade, G. The crystal structure of kamphaugite-(Y) European Journal of Mineralogy, 1993, 5, 685-690 |
| 9005139 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2471; 12.2471; 4.9287 90; 90; 120 | 640.22 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: I, T = 20 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
| 9005140 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2573; 12.2573; 4.9316 90; 90; 120 | 641.665 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 20 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
| 9005141 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.2851; 12.2851; 4.9505 90; 90; 120 | 647.049 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: III, T = 410 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
| 9005142 | CIF | Al3 H5 Mg3.7 O19 Si4 Ti0.3 | P 63 | 12.3184; 12.3184; 4.9674 90; 90; 120 | 652.782 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part 1: Effects of high temperature Sample: II, T = 668 deg C European Journal of Mineralogy, 1993, 5, 819-829 |
| 9005143 | CIF | Al3 Fe0.03 H5 Mg3.49 O19 P0.02 Si3.98 Ti0.6 Zr0.02 | P 63 | 12.24; 12.24; 4.925 90; 90; 120 | 638.998 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 4 kbar European Journal of Mineralogy, 1993, 5, 831-838 |
| 9005144 | CIF | Al2.88 Fe0.08 H5 Mg3.89 O19 P0.33 Si3.67 Ti0.2 Zr0.28 | P 63 | 12.16; 12.16; 4.882 90; 90; 120 | 625.166 | Comodi, P.; Zanazzi, P. F. Structural study of ellenbergerite. Part II: Effects of high pressure Sample: I, P = 32 kbar European Journal of Mineralogy, 1993, 5, 831-838 |
| 9005145 | CIF | Al2.34 Ca0.945 H22.98 Mg0.107 Na0.188 O25.28 Si6.66 | F m m m | 13.616; 18.238; 17.835 90; 90; 90 | 4428.94 | Akizuki, M.; Kudoh, Y.; Satoh, Y. Crystal structure of the orthorhombic {001} growth sector of stilbite European Journal of Mineralogy, 1993, 5, 839-843 |
| 9005146 | CIF | Ca4 F H13.76 K O26.88 Si8 | P 4/m n c | 8.9639; 8.9639; 15.754 90; 90; 90 | 1265.86 | Stahl, K. A neutron powder diffraction study of partially dehydrated fluorapophyllite, KCa4Si8O20F*6.9H2O European Journal of Mineralogy, 1993, 5, 845-849 |
| 9005147 | CIF | Al2 Ca D7.72 O16.5 Si4 | C 1 2/m 1 | 14.863; 13.169; 7.537 90; 110.18; 90 | 1384.67 | Stahl, K.; Artioli, G. A neutron powder diffraction study of fully deuterated laumontite European Journal of Mineralogy, 1993, 5, 851-856 |
| 9005148 | CIF | Al1.069 Ba0.007 F0.79 Fe0.246 H0.245 K0.933 Mg2.326 Mn0.005 Na0.06 O11.21 Si2.939 Ti0.414 | C 1 2/m 1 | 5.32; 9.207; 10.1 90; 100.24; 90 | 486.831 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 18 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005149 | CIF | Al1.269 Ba0.026 Ca0.004 F0.233 Fe0.989 H0.843 K0.896 Mg1.611 Mn0.01 Na0.074 O11.767 Si2.748 Ti0.371 | C 1 2/m 1 | 5.331; 9.23; 10.16 90; 100.19; 90 | 492.039 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 19 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005150 | CIF | Al2.253 Ba0.03 Ca0.026 F0.145 Fe0.801 H0.5 K0.876 Mg1.103 Mn0.026 Na0.068 O11.855 Si2.679 Ti0.138 | C 1 2/m 1 | 5.323; 9.219; 10.219 90; 100.03; 90 | 493.81 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 20 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005151 | CIF | Al1.457 Ba0.032 F0.165 Fe0.695 H1.265 K0.919 Mg1.997 Mn0.004 Na0.049 O11.835 Si2.68 Ti0.166 | C 1 2/m 1 | 5.326; 9.222; 10.223 90; 100.04; 90 | 494.427 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 21 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005152 | CIF | Al0.748 Ba0.036 F0.307 Fe0.745 H0.556 K0.854 Mg1.7 Mn0.007 Na0.11 O11.693 Si3.252 Ti0.487 | C 1 2/m 1 | 5.33; 9.245; 10.192 90; 100.35; 90 | 494.048 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 22 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005153 | CIF | Al1.464 Ba0.036 Ca0.002 F0.017 Fe0.883 H1.426 K0.881 Mg1.852 Mn0.009 Na0.082 O11.983 Si2.652 Ti0.141 | C 1 2/m 1 | 5.328; 9.219; 10.233 90; 99.88; 90 | 495.179 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 23 Note: O2 z-coordinate changed in order to reproduce bond lengths European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005154 | CIF | Al1.504 Ba0.037 F0.041 Fe1.017 H1.089 K0.905 Mg1.666 Mn0.01 Na0.058 O11.959 Si2.624 Ti0.179 | C 1 2/m 1 | 5.328; 9.224; 10.247 90; 100.01; 90 | 495.928 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 24 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005155 | CIF | Al1.655 Ba0.115 F0.258 Fe0.999 H1.218 K0.885 Mg1.58 Mn0.007 O11.742 Si2.587 Ti0.171 | C 1 2/m 1 | 5.333; 9.241; 10.18 90; 100.1; 90 | 493.919 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 25 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005156 | CIF | Al2.003 Ba0.481 Ca0.004 F0.669 Fe0.295 H1.331 K0.475 Mg2.441 Mn0.019 Na0.041 O11.331 Si2.199 Ti0.043 | C 1 2/m 1 | 5.322; 9.209; 10.163 90; 100.17; 90 | 490.266 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 26 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005157 | CIF | Al1.997 Ba0.543 Ca0.01 F0.714 Fe0.272 H1.286 K0.408 Mg2.533 Mn0.004 Na0.039 O11.286 Si2.168 Ti0.026 | C 1 2/m 1 | 5.318; 9.214; 10.164 90; 100.11; 90 | 490.303 | Brigatti, M. F.; Poppi, L. Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 27 European Journal of Mineralogy, 1993, 5, 857-871 |
| 9005158 | CIF | Al3.5 Ca3 H9.785 O12 | I a -3 d | 12.374; 12.374; 12.374 90; 90; 90 | 1894.66 | Schropfer, L.; Bartl, H. Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 Sample: specimen C12A7H15, intermediate phase resulting from the decomposition of hydrogarnet. Ca12Al14O33(H2O)15 European Journal of Mineralogy, 1993, 5, 1133-1144 |
| 9005159 | CIF | Al2.849 Ca3 H9.6 O12 | I a -3 d | 12.458; 12.458; 12.458 90; 90; 90 | 1933.5 | Schropfer, L.; Bartl, H. Oriented decomposition and reconstruction of hydrogarnet, Ca3.Al2.(OH)12 Sample: specimen C12A5.7H20, dehydration product of hydrogarnet after 3 weeks. European Journal of Mineralogy, 1993, 5, 1133-1144 |
| 9005160 | CIF | Al0.11 Ca0.388 F0.4 Fe0.72 H1.6 K0.03 Li0.06 Mg4.008 Mn0.948 Na1.168 O23.6 Si7.88 | C 1 2/m 1 | 9.704; 17.99; 5.297 90; 103.51; 90 | 899.136 | Oberti, R.; Ghose, S. Crystal-chemistry of a complex Mn-bearing alkali amphibole ("tirodite") on the verge of exsolution European Journal of Mineralogy, 1993, 5, 1153-1160 |
| 9005161 | CIF | Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 | P b c n | 14.51; 5.558; 5.173 90; 90; 90 | 417.185 | Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N. Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure European Journal of Mineralogy, 1993, 5, 1161-1165 |
| 9005162 | CIF | Al F3 H6 O3 | P 4/n :2 | 7.715; 7.715; 3.648 90; 90; 90 | 217.133 | Olmi, F.; Sabelli, C.; Trosti-Ferroni R Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure European Journal of Mineralogy, 1993, 5, 1167-1174 |
| 9005758 | CIF | Al H O2 | P b n m | 4.4007; 9.4253; 2.8452 90; 90; 90 | 118.013 | Hill, R. J. Crystal structure refinement and electron density distribution in diaspore Sample: Neutral atom refinement Physics and Chemistry of Minerals, 1979, 5, 179-200 |
| 9005759 | CIF | Al H O2 | P b n m | 4.4007; 9.4253; 2.8452 90; 90; 90 | 118.013 | Hill, R. J. Crystal structure refinement and electron density distribution in diaspore Sample: Core/valence population and kappa refinement Physics and Chemistry of Minerals, 1979, 5, 179-200 |
| 9007428 | CIF | Ca3 H6 O10 Si2 | C 1 c 1 | 16.27; 5.632; 13.23 90; 134.8; 90 | 860.212 | Megaw, H. D. The structure of afwillite, Ca3(SiO3OH)2*2H2O Acta Crystallographica, 1952, 5, 477-491 |
| 9009994 | CIF | F3 La | P 63/m m c | 4.148; 4.148; 7.354 90; 90; 120 | 109.58 | Schlyter, K. On the crystal structure of fluorides of the tysonite LaF3 type Arkiv for Kemi, 1952, 5, 73-82 |
| 9010971 | CIF | C K O3 | P 1 21/a 1 | 15.11; 5.67; 3.71 90; 103.75; 90 | 308.741 | Nitta, I.; Tomiie, Y.; Koo, C. H. The crystal structure of potassium bicarbonate, KHCO3 Acta Crystallographica, 1952, 5, 292-292 |
| 9010972 | CIF | O2 S | A e a 2 | 6.07; 5.94; 6.14 90; 90; 90 | 221.383 | Post, B.; Schwartz, R. S.; Fankuchen, I. The crystal structure of sulfur dioxide Sample: T = -130 C Acta Crystallographica, 1952, 5, 372-374 |
| 9010973 | CIF | Ca2 O5 Si | P b c a | 9.34; 9.22; 10.61 90; 90; 90 | 913.678 | Heller, L. The structure of dicalcium silicate alpha-hydrate Acta Crystallographica, 1952, 5, 724-728 |
| 9010974 | CIF | As S | P 1 21/n 1 | 9.27; 13.5; 6.56 90; 106.62; 90 | 786.654 | Ito, T.; Morimoto, N.; Sadanaga, R. The crystal structure of realgar locality: Saimoko, Japan Acta Crystallographica, 1952, 5, 775-782 |
| 9011840 | CIF | H0.5 Na2.5 O18.5 Si6 Zr | C 1 2 1 | 10.48; 10.2; 7.33 90; 92.5; 90 | 782.802 | Ilyukhin, V. V.; Belov, N. V. Derivation of the structure of lovozerite from sections of the three-dimensional Patterson function Soviet Physics Crystallography, 1960, 5, 186-198 |
| 9011841 | CIF | Ca2 Fe H8 O12 P2 | P -1 | 6.39; 6.86; 5.89 101; 104; 71 | 235.099 | Rumanova, I. M.; Znamenskaya, M. N. The crystal structure of anapaite Soviet Physics Crystallography, 1961, 5, 650-658 |
| 9012107 | CIF | B F4 H4 N | P b n m | 7.243; 8.808; 5.908 90; 90; 90 | 376.909 | van Rensburg, D. J. J.; Boeyens, J. C. A. The crystal structure of ammonium tetrafluoroborate IV at 140 K Sample: T = 140 K Note: x(H2), y(H2) adjusted to match reported bond lengths Journal of Solid State Chemistry, 1972, 5, 79-84 |
| 9012784 | CIF | B6 H22 Mg O17 | P 1 21/c 1 | 12.664; 10.091; 11.322 90; 109.6; 90 | 1363.03 | dal Negro, A.; Ungaretti, L.; Basso, R. The crystal structure of synthetic hydrated borates: (II) MgO*3B2O3*7H2O Crystal Structure Communications, 1976, 5, 433-436 |
| 9012800 | CIF | Fe Pb4 S14 Sb6 | P 1 21/c 1 | 4.0235; 19.074; 15.737 90; 91.89; 90 | 1207.07 | Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y. Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) Solid State Sciences, 2003, 5, 771-776 |
| 9012801 | CIF | Mn Pb4 S14 Sb6 | P 1 21/c 1 | 4.0216; 19.178; 15.837 90; 91.89; 90 | 1220.78 | Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y. Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) Loclaity: synthetic Solid State Sciences, 2003, 5, 771-776 |
| 9012843 | CIF | Be0.96 Ce0.92 H O5 Si0.98 | P 1 21/c 1 | 4.7681; 7.6757; 9.9301 90; 90.171; 90 | 363.425 | Lulu, X. M.; Zhi-Zhong P Crystal structure of xinganite Geochemistry, 1986, 5, 280-285 |
| 9012855 | CIF | Bi2 Pd | C 1 2/m 1 | 12.74; 4.25; 5.665 90; 102.58; 90 | 299.368 | Zhuravlev, N. N. Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: low temperature modification Note: unable to reproduce reported bond lengths Soviet Journal of Experimental and Theoretical Physics, 1957, 5, 1064-1072 |
| 9012856 | CIF | Bi Pd | C m c 21 | 8.707; 7.203; 10.662 90; 90; 90 | 668.684 | Zhuravlev, N. N. Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Soviet Journal of Experimental and Theoretical Physics, 1957, 5, 1064-1072 |
| 9012857 | CIF | Bi2 Pd | I 4/m m m | 3.362; 3.362; 12.983 90; 90; 90 | 146.747 | Zhuravlev, N. N. Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: high temperature modification Soviet Journal of Experimental and Theoretical Physics, 1957, 5, 1064-1072 |
| 9012924 | CIF | Ti | I m -3 m | 3.282; 3.282; 3.282 90; 90; 90 | 35.352 | Levinger, B. W. Lattice parameters of beta titanium at room temperature Sample: at T = 298 K, known as the beta phase Journal of Metals, 1953, 5, 195-195 |
| 9013147 | CIF | Co Cr2 O4 | F d -3 m :2 | 8.3346; 8.3346; 8.3346 90; 90; 90 | 578.968 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.00 Polyhedron, 1986, 5, 787-789 |
| 9013148 | CIF | Co1.2 Cr1.7 O4 Sb0.1 | F d -3 m :2 | 8.3461; 8.3461; 8.3461 90; 90; 90 | 581.368 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.10, Co1.2Cr1.7Sb.1O4 Polyhedron, 1986, 5, 787-789 |
| 9013149 | CIF | Co1.4 Cr1.4 O4 Sb0.2 | F d -3 m :2 | 8.3783; 8.3783; 8.3783 90; 90; 90 | 588.122 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.20, Co1.4Cr1.4Sb.2O4 Polyhedron, 1986, 5, 787-789 |
| 9013150 | CIF | Co1.6 Cr1.1 O4 Sb0.3 | F d -3 m :2 | 8.4187; 8.4187; 8.4187 90; 90; 90 | 596.671 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.30, Co1.6Cr1.1Sb.3O4 Polyhedron, 1986, 5, 787-789 |
| 9013151 | CIF | Co1.8 Cr0.8 O4 Sb0.4 | F d -3 m :2 | 8.4577; 8.4577; 8.4577 90; 90; 90 | 605.002 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.40, Co1.8Cr.8Sb.4O4 Polyhedron, 1986, 5, 787-789 |
| 9013152 | CIF | Co2 Cr0.5 O4 Sb0.5 | F d -3 m :2 | 8.4909; 8.4909; 8.4909 90; 90; 90 | 612.155 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.50, Co2Cr.5Sb.5O4 Polyhedron, 1986, 5, 787-789 |
| 9013153 | CIF | Co2.2 Cr0.2 O4 Sb0.6 | F d -3 m :2 | 8.5185; 8.5185; 8.5185 90; 90; 90 | 618.144 | Garcia Casado, P.; Rasines, I. Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.60, Co2.2Cr.2Sb.6O4 Polyhedron, 1986, 5, 787-789 |
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