Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7238770 | CIF | C111 H92 Au6 Cl2 F6 O8 P6 S2 | P -1 | 12.7852; 14.6023; 16.363 64.009; 81.587; 88.896 | 2712.9 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
| 7238774 | CIF | C74 H115 N8 O38 P S6 | P -1 | 12.9514; 14.2719; 25.9721 87.967; 86.878; 67.322 | 4422.4 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
| 7238775 | CIF | C70 H82 N6 O24 S6 | P 1 21/c 1 | 13.3839; 22.0863; 11.7496 90; 95.793; 90 | 3455.5 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
| 7238778 | CIF | C12 H14 O6 S | P 1 21/n 1 | 8.17; 7.029; 22.066 90; 97.99; 90 | 1254.9 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
| 7238779 | CIF | C6 H8 Br2 O2 S | P -1 | 9.33; 9.624; 12.48 70.661; 73.733; 63.117 | 931.7 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
| 7238780 | CIF | C132 H116 Cu18 N41 O50 | P -1 | 14.7198; 19.2788; 20.2209 113.4; 106.96; 100.281 | 4745.7 | Wu, Jin-Ji; Cao, Man-Li; Zhang, Jian-Yong; Ye, Bao-Hui A nanocomposite gel based on 1D coordination polymers and nanoclusters reversibly gelate water upon heating RSC Advances, 2012, 2, 12718 |
| 7239549 | CIF | C32 H44 N2 O6 | P b c n | 15.0473; 18.1959; 10.7775 90; 90; 90 | 2950.9 | Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques Journal of Materials Chemistry A, 2014, 2, 3536 |
| 7239550 | CIF | C66 H34 Eu4 N2 O34 | P -1 | 12.949; 13.869; 27.972 104.315; 98.301; 94.349 | 4784 | Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity J. Mater. Chem. A, 2014, 2, 237 |
| 7239556 | CIF | C402 H338 Cd17 N2 O116 | R 3 c :H | 25.7369; 25.7369; 61.601 90; 90; 120 | 35337.1 | Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives J. Mater. Chem. A, 2014, 2, 1465 |
| 7239558 | CIF | C31 H41 Cd N5 O14 | P -1 | 10.217; 10.362; 18.118 102.53; 99.35; 93.79 | 1837.3 | Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands J. Mater. Chem. A, 2014, 2, 2213 |
| 7239559 | CIF | C31 H41 N5 O14 Zn | P -1 | 10.004; 10.293; 17.914 103.66; 99.58; 93.45 | 1757.9 | Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands J. Mater. Chem. A, 2014, 2, 2213 |
| 7239560 | CIF | C31 H22 Cu2 O10 | P 63/m m c | 18.4819; 18.4819; 34.4495 90; 90; 120 | 10190.8 | Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments Journal of Materials Chemistry A, 2014, 2, 2628 |
| 7239561 | CIF | C24 H48 Al Cl7 Mg2 O6 | P 1 21/c 1 | 12.9088; 12.2522; 23.79 90; 90.379; 90 | 3762.6 | Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries Journal of Materials Chemistry A, 2014, 2, 3430 |
| 7239562 | CIF | C42 H63 Al Cl4 Mg2 O6 | P -1 | 11.7192; 14.7431; 15.6936 101.118; 105.884; 109.517 | 2334.1 | Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries Journal of Materials Chemistry A, 2014, 2, 3430 |
| 7239563 | CIF | C9 H20 F6 N P | P 1 21/c 1 | 13.019; 15.518; 14.001 90; 110.76; 90 | 2645 | Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J. Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries J. Mater. Chem. A, 2014, 2, 2194 |
| 7239564 | CIF | C5 H5 N9 O10 | P b c a | 11.0318; 10.0035; 22.999 90; 90; 90 | 2538.1 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239565 | CIF | C5 H3 N11 O10 | P 1 21/c 1 | 18.9685; 7.7374; 27.7321 90; 91.248; 90 | 4069.2 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239566 | CIF | C3 H4 N6 O4 | P b c a | 12.7023; 8.0688; 13.0694 90; 90; 90 | 1339.5 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239567 | CIF | C12 H16 I N | P 21 21 21 | 6.944; 11.434; 15.743 90; 90; 90 | 1250 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239568 | CIF | C14 H18 I N O2 | P b c a | 7.4137; 13.643; 29.756 90; 90; 90 | 3009.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239569 | CIF | C18 H19 N O3 | P -1 | 7.2314; 9.476; 11.6165 82.094; 82.082; 78.631 | 767.95 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239570 | CIF | C17 H18 N Na O4.5 | P -1 | 8.81; 12.003; 17.977 82.678; 86.66; 74.635 | 1817.5 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239571 | CIF | C32 H49 N Na O4.5 | P -1 | 8.6755; 10.3795; 35.24 92.172; 91.37; 99.956 | 3121.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239572 | CIF | C17 H20 I N | P 1 21/c 1 | 15.3349; 7.5158; 13.7564 90; 92.545; 90 | 1583.92 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239573 | CIF | C33 H43 N O3 | C 1 2/c 1 | 19.2363; 10.283; 29.048 90; 92.704; 90 | 5739.5 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239574 | CIF | C32 H41 N O3 | P -1 | 9.802; 9.8259; 15.69 83.509; 89.4; 66.4 | 1375 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239575 | CIF | C34 H38 N3 Na O3.5 | P -1 | 11.9454; 12.4652; 24.378 90.54; 101.5; 118.1 | 3115.3 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239576 | CIF | C18 H20 I N O2 | P b c a | 7.53; 13.635; 34.164 90; 90; 90 | 3507.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239577 | CIF | C26 H33 N O5 | P 1 21/c 1 | 12.7035; 18.2291; 11.1693 90; 111.529; 90 | 2406.1 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239578 | CIF | C104 H130 N4 O20 | P -1 | 10.8885; 17.307; 27.892 78.372; 80.234; 77.874 | 4988.8 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239582 | CIF | C46.5 H50 Cl2.5 N4 O8.5 Ru2 | P 1 21/c 1 | 20.9534; 15.4403; 29.153 90; 96.57; 90 | 9369.8 | Rojas, S.; Quartapelle-Procopio, E.; Carmona, F. J.; Romero, M. A.; Navarro, J. A. R.; Barea, E. Biophysical characterisation, antitumor activity and MOF encapsulation of a half-sandwich ruthenium(ii) mitoxantronato system J. Mater. Chem. B, 2014, 2, 2473 |
| 7239583 | CIF | C20 H30 Br N3 O2 S | P 1 21/c 1 | 11.7757; 11.5358; 16.1129 90; 94.112; 90 | 2183.18 | Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A. Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces J. Mater. Chem. B, 2014, 2, 1509 |
| 7239584 | CIF | C17 H25 N3 O2 S | P 1 21/c 1 | 10.5518; 12.7906; 13.4228 90; 101.582; 90 | 1774.71 | Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A. Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces J. Mater. Chem. B, 2014, 2, 1509 |
| 8000074 | CIF | C23 H16 O2 S2 | P c c n | 5.9686; 13.7161; 22.6208 90; 90; 90 | 1851.87 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000075 | CIF | C21 H12 O S2 | P 1 2/c 1 | 16.9741; 6.496; 7.1152 90; 91.0088; 90 | 784.43 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000076 | CIF | C24 H12 N2 S2 | P 1 21/c 1 | 14.8678; 7.5297; 16.9934 90; 95.7169; 90 | 1892.95 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000077 | CIF | C23 H6 F10 O2 S2 | P -1 | 8.8519; 9.6987; 13.1288 70.3916; 78.2754; 82.4345 | 1037.15 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000078 | CIF | C24 H2 F10 N2 S2 | P 1 21/n 1 | 16.8693; 7.6992; 32.7451 90; 96.783; 90 | 4223.2 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000079 | CIF | C23 H11 F5 O2 S2 | P -1 | 8.3262; 9.9514; 12.7866 112.274; 99.195; 91.288 | 963.8 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000080 | CIF | C33 H30 F6 N2 | P 1 c 1 | 6.2952; 13.29; 17.297 90; 101.4; 90 | 1418.6 | Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound The Journal of Physical Chemistry Letters, 2011, 2, 666 |
| 8000081 | CIF | C13 H15 N4 O6 | P 41 | 10.6905; 10.6905; 12.9823 90; 90; 90 | 1483.71 | Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters, 2011, 2, 3036 |
| 8000082 | CIF | C13 H15 N4 O6 | P 43 | 10.6835; 10.6835; 12.9899 90; 90; 90 | 1482.63 | Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters, 2011, 2, 3036 |
| 8000083 | CIF | C10 H7 N O3 | P 1 21/n 1 | 5.2307; 9.6701; 15.5374 90; 98.565; 90 | 777.14 | Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction The Journal of Physical Chemistry Letters, 2011, 2, 3063 |
| 9000000 | CIF | F0.5 Fe6.1 H1.5 Mg0.9 O23.5 Si8 | C 1 2/m 1 | 9.5642; 18.393; 5.3388 90; 101.892; 90 | 919.015 | Finger, L. W. The crystal structure and cation distribution of a grunerite Mineralogical Society of America Special Paper, 1969, 2, 95-100 |
| 9005017 | CIF | O2 Si | P 32 2 1 | 4.9137; 4.9137; 5.4047 90; 90; 120 | 113.011 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005018 | CIF | O2 Si | P 32 2 1 | 4.9209; 4.9209; 5.4091 90; 90; 120 | 113.434 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 398 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005019 | CIF | O2 Si | P 32 2 1 | 4.9297; 4.9297; 5.4151 90; 90; 120 | 113.967 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 498 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005020 | CIF | O2 Si | P 32 2 1 | 4.9384; 4.9384; 5.4213 90; 90; 120 | 114.5 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 597 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005021 | CIF | O2 Si | P 32 2 1 | 4.9509; 4.9509; 5.4285 90; 90; 120 | 115.234 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 697 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005022 | CIF | O2 Si | P 32 2 1 | 4.9628; 4.9628; 5.436 90; 90; 120 | 115.948 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 773 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005023 | CIF | O2 Si | P 32 2 1 | 4.9728; 4.9728; 5.4425 90; 90; 120 | 116.555 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 813 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005024 | CIF | O2 Si | P 32 2 1 | 4.9841; 4.9841; 5.45 90; 90; 120 | 117.247 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 838 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005025 | CIF | O2 Si | P 62 2 2 | 4.9965; 4.9965; 5.457 90; 90; 120 | 117.982 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 848 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005026 | CIF | O2 Si | P 62 2 2 | 4.9968; 4.9968; 5.4576 90; 90; 120 | 118.009 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 854 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005027 | CIF | O2 Si | P 62 2 2 | 4.9973; 4.9973; 5.4572 90; 90; 120 | 118.024 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 859 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005028 | CIF | O2 Si | P 62 2 2 | 4.9971; 4.9971; 5.4574 90; 90; 120 | 118.019 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 869 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005029 | CIF | O2 Si | P 62 2 2 | 4.9972; 4.9972; 5.4569 90; 90; 120 | 118.013 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 891 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005030 | CIF | O2 Si | P 62 2 2 | 4.9972; 4.9972; 5.4571 90; 90; 120 | 118.017 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 920 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005031 | CIF | O2 Si | P 62 2 2 | 4.9977; 4.9977; 5.4564 90; 90; 120 | 118.026 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 972 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005032 | CIF | O2 Si | P 62 2 2 | 4.9964; 4.9964; 5.4543 90; 90; 120 | 117.919 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1012 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005033 | CIF | O2 Si | P 62 2 2 | 4.9965; 4.9965; 5.4546 90; 90; 120 | 117.93 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1078 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005034 | CIF | Fe8.558 O38 Pb0.508 Ti10.944 U0.466 | R -3 :H | 10.439; 10.439; 21.091 90; 90; 120 | 1990.42 | Armbruster, T.; Kunz, M. Cation arrangement in a unusual uranium-rich senaite: crystal structure study at 130 K European Journal of Mineralogy, 1990, 2, 163-170 |
| 9005035 | CIF | Ca F2 Na2 O7 Si2 Zr | P 1 21/a 1 | 10.1173; 10.4446; 7.2555 90; 90.039; 90 | 766.697 | Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I. Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character European Journal of Mineralogy, 1990, 2, 177-185 |
| 9005036 | CIF | C1.02 H14 Al2.84 O14.92 Si5.16 | C 1 2/m 1 | 18.625; 7.508; 10.247 90; 108.056; 90 | 1362.34 | Quartieri S; Vezzalini G; Alberti A Dachiardite from Hokiya-dake: evidence of a new topology Locality: Hokiya-dake, Japan European Journal of Mineralogy, 1990, 2, 187-193 |
| 9005037 | CIF | Al3 Ca1.93 Fe1.705 Mg3.295 Na0.07 O20 Si3 Ti | P -1 | 10.428; 10.807; 8.925 105.91; 96.13; 124.8 | 748.853 | Bonaccorsi, E.; Merlino, S.; Pasero, M. Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships European Journal of Mineralogy, 1990, 2, 203-218 |
| 9005038 | CIF | Al2 Ca Mg2 O10 Si Ti | P -1 | 10.367; 10.756; 8.895 105.98; 96.04; 124.72 | 739.406 | Bonaccorsi, E.; Merlino, S.; Pasero, M. Rhonite: structural and microstructural features, crystal chemistry and polysomatic relationships European Journal of Mineralogy, 1990, 2, 203-218 |
| 9005039 | CIF | O26 P2 Pb2 U3 | B m m b | 16.031; 17.264; 13.605 90; 90; 90 | 3765.31 | Piret, P.; Piret-Meunier J; Deliens, M. Composition chimique et structure cristalline de la dewindtite Pb3[H(UO2)3O2(PO4)2]2.12H2O European Journal of Mineralogy, 1990, 2, 399-405 |
| 9005040 | CIF | C4 Ca1.263 Ce0.626 Dy0.068 Gd0.273 La0.137 Nd0.879 O16 Pr0.147 Sm0.324 Tm0.029 Y0.254 | P m 1 1 | 4.976; 8.468; 7.212 90.04; 90; 90 | 303.89 | Orlandi, P.; Pasero, M.; Vezzalini, G. Calcio-ancylite-(Nd), a new REE-carbonate from Baveno, Italy European Journal of Mineralogy, 1990, 2, 413-418 |
| 9005041 | CIF | Al1.8 Ca1.05 Fe0.32 H Mn1.1 O13 Si3 Sr0.73 | P 1 21/m 1 | 8.849; 5.671; 10.203 90; 114.63; 90 | 465.43 | Bonazzi, P.; Menchetti, S.; Palenzona, A. Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPM European Journal of Mineralogy, 1990, 2, 519-523 |
| 9005042 | CIF | Al1.74 Ca1.38 Fe0.32 H Mn0.94 O13 Si3 Sr0.62 | P 1 21/m 1 | 8.87; 5.681; 10.209 90; 114.88; 90 | 466.692 | Bonazzi, P.; Menchetti, S.; Palenzona, A. Strontiopiemontite, a new member of the epidote group, from Val Graveglia, Liguria, Italy Sample: SRPC European Journal of Mineralogy, 1990, 2, 519-523 |
| 9005043 | CIF | Al1.83 Ca2 Fe0.17 H2 O12 Si3 | P 2 c m | 4.646; 5.491; 18.52 90; 90; 90 | 472.467 | Balic-Zunic T; Scavnicar, S.; Molin, G. Crystal structure of prehnite from Komiza European Journal of Mineralogy, 1990, 2, 731-734 |
| 9005044 | CIF | Al12 H37.324 K8 O94.46 Si24 Tl3.78 | P 6/m m m | 18.5432; 18.5432; 7.531 90; 90; 120 | 2242.6 | Artioli, G.; Kvick, A. Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with synchrotron radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9005045 | CIF | Al12 H37.408 K7.447 O95.24 Si24 Tl3.813 | P 6/m m m | 18.5432; 18.5432; 7.531 90; 90; 120 | 2242.6 | Artioli, G.; Kvick, A. Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9005046 | CIF | Al2 H4 Li1.66 Na0.34 O12 Si3 | F d d 2 | 17.678; 18.509; 6.488 90; 90; 90 | 2122.89 | Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W. Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: Li-natrolite, LI European Journal of Mineralogy, 1990, 2, 761-769 |
| 9005047 | CIF | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.307; 18.623; 6.5872 90; 90; 90 | 2245.78 | Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W. Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA European Journal of Mineralogy, 1990, 2, 761-769 |
| 9005048 | CIF | Al2 H4 K2 O12 Si3 | F d d 2 | 19.27; 19.66; 6.469 90; 90; 90 | 2450.77 | Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W. Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: K-natrolite, KK European Journal of Mineralogy, 1990, 2, 761-769 |
| 9005049 | CIF | C96 H288 Al3 N O12 P3 | P m -3 n | 9.0437; 9.0437; 9.0437 90; 90; 90 | 739.671 | Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement Pm3n European Journal of Mineralogy, 1990, 2, 787-798 |
| 9005050 | CIF | Al O4 P | P -4 3 n | 9.0437; 9.0437; 9.0437 90; 90; 90 | 739.671 | Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement European Journal of Mineralogy, 1990, 2, 787-798 |
| 9005051 | CIF | Al O4 P | P -4 3 n | 9.0551; 9.0551; 9.0551 90; 90; 90 | 742.471 | Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 295 K European Journal of Mineralogy, 1990, 2, 787-798 |
| 9005052 | CIF | Al O4 P | P -4 3 n | 9.0374; 9.0374; 9.0374 90; 90; 90 | 738.126 | Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 200 K European Journal of Mineralogy, 1990, 2, 787-798 |
| 9005053 | CIF | Al O4 P | P -4 3 n | 8.9942; 8.9942; 8.9942 90; 90; 90 | 727.592 | Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 20 K European Journal of Mineralogy, 1990, 2, 787-798 |
| 9005054 | CIF | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.305; 18.632; 6.589 90; 90; 90 | 2247.24 | Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na I European Journal of Mineralogy, 1990, 2, 799-807 |
| 9005055 | CIF | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.372; 18.576; 6.606 90; 90; 90 | 2254.48 | Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na II European Journal of Mineralogy, 1990, 2, 799-807 |
| 9005056 | CIF | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.367; 18.583; 6.599 90; 90; 90 | 2252.33 | Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na III European Journal of Mineralogy, 1990, 2, 799-807 |
| 9005057 | CIF | Al2 H4 Na2 O12 Si3 | F d d 2 | 17.704; 18.54; 6.495 90; 90; 90 | 2131.87 | Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Li II European Journal of Mineralogy, 1990, 2, 799-807 |
| 9005058 | CIF | Be4 H18 K2 Na6 O45 Si14 | P m a 2 | 39.576; 6.9308; 7.1526 90; 90; 90 | 1961.91 | Merlino, S. Lovdarite, K4Na12(Be8Si28O72).18H2O, a zeolite-like mineral: structural features and OD character European Journal of Mineralogy, 1990, 2, 809-817 |
| 9005059 | CIF | Al2.11 Ca2 H18 O16.25 Si1.11 | R -3 m :H | 5.745; 5.745; 37.77 90; 90; 120 | 1079.59 | Rinaldi, R.; Sacerdoti, M.; Passaglia, E. Stratlingite: crystal structure, chemistry, and a reexamination of its polytype vertumnite European Journal of Mineralogy, 1990, 2, 841-849 |
| 9005060 | CIF | Al10.62 H72 K4.63 Na6 O91.32 Si25.38 | P 6/m m m | 18.358; 18.358; 7.521 90; 90; 120 | 2195.11 | Sato, M.; Morikawa, K.; Kurosawa, S. X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Na-L European Journal of Mineralogy, 1990, 2, 851-859 |
| 9005061 | CIF | Al6.12 H108 K4.64 O89.94 Si29.88 Sr1.46 | P 6/m m m | 18.358; 18.358; 7.523 90; 90; 120 | 2195.7 | Sato, M.; Morikawa, K.; Kurosawa, S. X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Sr-L European Journal of Mineralogy, 1990, 2, 851-859 |
| 9005062 | CIF | Al6 Ba1.14 H108 K4.86 O96.36 Si30 | P 6/m m m | 18.361; 18.361; 7.525 90; 90; 120 | 2197 | Sato, M.; Morikawa, K.; Kurosawa, S. X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Ba-L European Journal of Mineralogy, 1990, 2, 851-859 |
| 9005063 | CIF | Al8.664 Cs3.66 H58.08 K5 O85.5 Si27.336 | P 6/m m m | 18.411; 18.411; 7.558 90; 90; 120 | 2218.67 | Sato, M.; Morikawa, K.; Kurosawa, S. X-ray Rietveld analysis of cation exchanged zeolite-L (LTL) Sample: Cs-L Note: We are unable to reproduce the reported bond lengths to T1 and K1, and we have not been able to locate the authors to find out what is wrong. European Journal of Mineralogy, 1990, 2, 851-859 |
| 9005064 | CIF | Al2.08 Ba O23 Si5.92 | P 1 21/m 1 | 9.8688; 14.1295; 8.7092 90; 124.74; 90 | 997.946 | Stuckenschmidt, E.; Fuess, H.; Kvick, A. Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 293 K European Journal of Mineralogy, 1990, 2, 861-874 |
| 9005065 | CIF | Al2.08 Ba O23 Si5.92 | P 1 21/m 1 | 9.841; 14.085; 8.68 90; 124.78; 90 | 988.196 | Stuckenschmidt, E.; Fuess, H.; Kvick, A. Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 100 K European Journal of Mineralogy, 1990, 2, 861-874 |
| 9005066 | CIF | Al2.22 Ba H11.16 O21.84 Si5.34 | P 1 21/m 1 | 9.884; 14.1; 8.655 90; 124.59; 90 | 992.986 | Stuckenschmidt, E.; Fuess, H.; Kvick, A. Investigation of the structure of harmotome by X-ray (293 K, 100 K) and neutron diffraction (15 K) Sample: 15 K European Journal of Mineralogy, 1990, 2, 861-874 |
| 9005756 | CIF | Al3.978 Ca1.389 H2.8 K0.014 Mg0.008 Na0.189 O36.64 Si14.022 | A m m a | 13.62; 17.16; 16.68 90; 90; 90 | 3898.44 | Alberti, A.; Rinaldi, R.; Vezzalini, G. Dynamics of dehydration in stilbite-type structures; stellerite phase B Sample: Stellerite phase B Physics and Chemistry of Minerals, 1978, 2, 365-375 |
| 9007426 | CIF | Cl Cu2 H3 O3 | P n a m | 6.01; 9.13; 6.84 90; 90; 90 | 375.32 | Wells, A. F. The crystal structure of atacamite and the crystal chemistry of cupric compounds Acta Crystallographica, 1949, 2, 175-180 |
| 9009239 | CIF | Ni S | P 63 m c | 3.4456; 3.4456; 5.405 90; 90; 120 | 55.572 | Trahan, J.; Goodrich, R. G.; Watkins, S. F. X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 77 K Physical Review B, 1970, 2, 2859-2863 |
| 9009240 | CIF | Ni S | P 63/m m c | 3.4395; 3.4395; 5.3514 90; 90; 120 | 54.826 | Trahan, J.; Goodrich, R. G.; Watkins, S. F. X-ray diffraction measurements on metallic and semiconducting hexagonal NiS Note: T = 300 K Physical Review B, 1970, 2, 2859-2863 |
| 9009564 | CIF | Fe O4 Sb2 | P 42/m b c | 8.59; 8.59; 5.92 90; 90; 90 | 436.826 | Zemann, J. Formel und kristallstruktur des schafarzikits Tschermaks Mineralogische und Petrographische Mitteilungen, 1951, 2, 166-175 |
| 9009565 | CIF | As2 Cu O4 | P 42/m b c | 8.59; 8.59; 5.56 90; 90; 90 | 410.262 | Zemann, J. Formel und kristallstruktur des trippkeits Note: coordinates of Cu and As corrected per Pertlik, 1975 Tschermaks Mineralogische und Petrographische Mitteilungen, 1951, 2, 417-423 |
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