Crystallography Open Database
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Searching space group like 'C m c 21'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7239896 | CIF | C10.5 H4.5 Cd N1.5 O6 | C m c 21 | 10.1522; 33.2337; 12.3547 90; 90; 90 | 4168.4 | Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems CrystEngComm, 2020 |
7239998 | CIF | C11 H15 B O2 | C m c 21 | 29.8653; 10.2827; 10.8622 90; 90; 90 | 3335.7 | Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte RSC Advances, 2020, 10, 8780-8789 |
7240276 | CIF | C12 H14 N2 O2 | C m c 21 | 30.5126; 9.6815; 7.3786 90; 90; 90 | 2179.7 | Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight CrystEngComm, 2020 |
7240775 | CIF | C38 H28 O2 S3 | C m c 21 | 65.1891; 7.4274; 5.7999 90; 90; 90 | 2808.23 | Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application RSC Advances, 2020, 10, 24057-24062 |
7240907 | CIF | C68 H76 O24 Ti7 | C m c 21 | 24.63; 19.1; 14.9 90; 90; 90 | 7009 | Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction Green Chemistry, 2020, 22, 5325-5332 |
7241568 | CIF | C72 H114 N20 Ni12 O78 P2 W18 | C m c 21 | 21.851; 21.0544; 16.796 90; 90; 90 | 7727.2 | Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties CrystEngComm, 2020 |
7242915 | CIF | C17 H23 Cl2 N5 O Zn | C m c 21 | 14.177; 11.34; 12.075 90; 90; 90 | 1941.3 | Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851 |
7246141 | CIF | C33 H26 Cd2 O11 | C m c 21 | 27.4335; 18.9368; 12.766 90; 90; 90 | 6632 | Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm, 2023, 25, 1058-1066 |
7700864 | CIF | C52 H44 Cl7 Fe N4 Sb | C m c 21 | 16.944; 34.231; 9.7978 90; 90; 90 | 5682.8 | Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y. Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations. Dalton transactions (Cambridge, England : 2003), 2019, 48, 13820-13833 |
7701039 | CIF | C21 H12 Br2 Cu2 F12 N4 | C m c 21 | 17.0895; 15.2842; 10.1011 90; 90; 90 | 2638.4 | Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15782-15794 |
7701255 | CIF | C6 H2 F6 N2 O2 | C m c 21 | 6.7891; 6.9057; 17.1652 90; 90; 90 | 804.76 | Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D. CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15236-15246 |
7701605 | CIF | C28 H28 I4 N2 Pb | C m c 21 | 42.92; 8.7431; 8.6629 90; 90; 90 | 3250.8 | Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers. Dalton transactions (Cambridge, England : 2003), 2019, 48, 14019-14026 |
7702883 | CIF | C21 H25 Cl2 Fe N9 O2 | C m c 21 | 11.8184; 11.02252; 18.9571 90; 90; 90 | 2469.51 | Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R. Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 8024-8034 |
7704471 | CIF | C20.67 H18 Cl F3 N1.67 O3 S Sb0.67 | C m c 21 | 22.579; 18.004; 17.445 90; 90; 90 | 7092 | Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L. Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 7507-7513 |
7705096 | CIF | C36 H58 Br2 O2 Ti | C m c 21 | 16.4524; 12.3781; 18.0939 90; 90; 90 | 3684.81 | Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 11978-11996 |
7705288 | CIF | C5 H51 Mo9 N6 O43 V | C m c 21 | 13.858; 15.952; 20.649 90; 90; 90 | 4565 | Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin {VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954 |
7705289 | CIF | C5 H51 Mo9 N6 O44 V | C m c 21 | 13.8761; 16.0198; 20.6578 90; 90; 90 | 4592.1 | Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin {VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954 |
7706767 | CIF | C12 H32 Cl5 Mo2 O2 P4 | C m c 21 | 14.84971; 12.54652; 13.80599 90; 90; 90 | 2572.22 | Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands. Dalton transactions (Cambridge, England : 2003), 2021, 50, 4380-4389 |
7707091 | CIF | C8 H16 N4 O8 P4 | C m c 21 | 14.982; 12.1208; 8.5138 90; 90; 90 | 1546.1 | Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6673-6681 |
7707724 | CIF | C16 H16 Cd N10 | C m c 21 | 9.9628; 14.1773; 14.0487 90; 90; 90 | 1984.32 | Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing. Dalton transactions (Cambridge, England : 2003), 2021, 50, 10580-10592 |
7707733 | CIF | C10 H16 I4 N2 S2 Sn | C m c 21 | 28.881; 8.709; 8.638 90; 90; 90 | 2172.7 | Jung, Mi-Hee The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites. Dalton transactions (Cambridge, England : 2003), 2021, 50, 10261-10274 |
7708135 | CIF | B6 Ba1.25 O11 Pb0.75 | C m c 21 | 19.051; 10.726; 8.612 90; 90; 90 | 1759.8 | Liu, Kaitong; Han, Jian; Pan, Shilie Ba<sub>2.5</sub>Pb<sub>1.5</sub>B<sub>12</sub>O<sub>22</sub>: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba<sub>2</sub>B<sub>6</sub>O<sub>11</sub>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 13031-13036 |
7709000 | CIF | C29 H35 Cl2 Er N6 O4 | C m c 21 | 18.729; 14.8702; 11.1918 90; 90; 90 | 3116.96 | Spillecke, Lena; Koo, Changhyun; Maximova, Olga; Mironov, Vladimir S.; Kopotkov, Vycheslav A.; Korchagin, Denis V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.; Klingeler, Rüdiger Magnetic behavior of the novel pentagonal-bipyramidal erbium(iii) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis Dalton Transactions, 2021 |
7709449 | CIF | C18 H25.5 Ga Li O9.25 | C m c 21 | 15.235; 21.548; 6.698 90; 90; 90 | 2198.8 | Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials Dalton Transactions, 2022 |
7710802 | CIF | C50 H52 N Nb | C m c 21 | 17.016; 11.6364; 20.0189 90; 90; 90 | 3963.8 | de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways Dalton Transactions, 2022 |
7711695 | CIF | C93 H92 N7 O66 Zn13 | C m c 21 | 29.577; 28.974; 17.758 90; 90; 90 | 15218 | Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate Dalton Transactions, 2022 |
7711696 | CIF | C102 H117 Co2 N10 O74 Zn12 | C m c 21 | 29.4994; 28.8734; 17.7149 90; 90; 90 | 15088.6 | Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate Dalton Transactions, 2022 |
7713244 | CIF | C8 H4 F3 N3 O3 S | C m c 21 | 8.1624; 19.0919; 6.7941 90; 90; 90 | 1058.76 | Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L. Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf]. Dalton transactions (Cambridge, England : 2003), 2023, 52, 8536-8539 |
7715445 | CIF | C34 H27 N9 O14 Zn2 | C m c 21 | 29.8348; 11.0642; 13.2894 90; 90; 90 | 4386.8 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715446 | CIF | C34 H27 Co2 N9 O14 | C m c 21 | 29.746; 11.0402; 13.3648 90; 90; 90 | 4389 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715447 | CIF | C34 H26 Cd2 N9 O14 | C m c 21 | 29.4455; 11.1947; 14.2083 90; 90; 90 | 4683.5 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715578 | CIF | Ce F I5 O15 Rb2 | C m c 21 | 11.1518; 8.1187; 17.1581 90; 90; 90 | 1553.46 | Grigorieva, Oksana P.; Shatalova, Tatiana B.; Kuznetsov, Alexey N.; Berdonosov, Peter S.; Stefanovich, Sergey Yu; Lyssenko, Konstantin A.; Dolgikh, Valery A. New iodate fluoride Rb<sub>2</sub>Ce(IO<sub>3</sub>)<sub>5</sub>F with nonlinear optical properties. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7367-7375 |
8000501 | CIF | C0.28 N1.68 O24 Si12 | C m c 21 | 13.826; 17.372; 5.0259 90; 90; 90 | 1207.1 | Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions. The journal of physical chemistry letters, 2021, 12, 5059-5063 |
8000544 | CIF | F4 H2 K2 O12 S3 Zn3 | C m c 21 | 17.7247; 7.665; 9.7505 90; 90; 90 | 1324.7 | Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>. The journal of physical chemistry letters, 2021, 12, 8280-8284 |
8100308 | CIF | C Al4 N3 O | C m c 21 | 5.7431; 8.5283; 9.0943 90; 90; 90 | 445.43 | Zhang, F.X.; Tanaka, T. Crystal structure of tetraaluminium trinitride carbide oxide, Al~4~N~3~CO Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 27-28 |
8100669 | CIF | C18 H22 F6 Ru | C m c 21 | 15.1084; 8.6434; 13.479 90; 90; 90 | 1760.19 | Ernst, Richard D.; Trakarnpruk, Wimonrat; Arif, Atta M. Refinement of the crystal structure of (1-ethyl-2,3,4,5- tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl] ruthenium(II), C~18~H~22~F~6~Ru, at 150 K Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 327-328 |
8101065 | CIF | C21 H56 Cl2 Cu2 N6 O12 | C m c 21 | 12.233; 18.504; 16.306 90; 90; 90 | 3691 | Kaizer, József; Pap, József; Speier, Gábor; Réglier, Marius; Michel, Giorgi Crystal structure of {(μ-carbonato)bis[3,3'-iminobis(N,N-dimethylpropyl- amine)]copper(II)} diperchlorate hydrate, [(Cu(idpa))~2~(CO~3~)](ClO~4~) ~2~ · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 519-520 |
8101271 | CIF | C24 H34 N2 Ti | C m c 21 | 19; 14.383; 7.907 90; 90; 90 | 2160.8 | Spannenberg, Anke; Zippel, Thorsten; Rosenthal, Uwe Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl) diazabuta-1,3-diene, C~24~H~34~N~2~Ti Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 365-366 |
8101539 | CIF | C14 H20 Cl4 N2 Pb | C m c 21 | 33.619; 7.8195; 7.7282 90; 90; 90 | 2031.6 | Braun, Markus; Frey, Wolfgang Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~) ~2~PbCl~4~ Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 331-332 |
8103600 | CIF | Ge Li2 O3 | C m c 21 | 9.634; 5.481; 4.843 90; 90; 90 | 255.73 | Voellenkle, H. Verfeinerung der Kristallstrukturen von Li2 Si O3 und Li2 Ge O3 Zeitschrift fuer Kristallographie (149,1979-), 1981, 154, 77-81 |
8103946 | CIF | K3 S4 Sb | C m c 21 | 10.712; 11.289; 7.7052 90; 90; 90 | 931.773 | Bensch, W.; Duerichen, P. Crystal structure of a new modification of potassium tetrathioantimonate, beta-K3SbS4 Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 95-96 |
8105548 | CIF | C18 H18 N0 O3 S | C m c 21 | 14.463; 9.78; 10.848 90; 90; 90 | 1534.4 | Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S Zeitschrift für Kristallographie - New Crystal Structures, 2018, 234, 79-80 |
8106106 | CIF | C6 H8 Cl2 Cu N4 | C m c 21 | 12.915; 10.784; 6.8037 90; 90; 90 | 947.6 | Zhang, Hong Crystal structure of catena-poly[chlorido-(μ2-chlorido)-bis(imidazole-κN)copper(II)] C6H8Cl2CuN4 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 223-224 |
9001104 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.7135; 15.268; 4.5683 90; 90; 90 | 607.756 | Downs, J. W.; Ross, F. K. Neutron-diffraction study of bertrandite Note: O2y has been corrected American Mineralogist, 1987, 72, 979-983 |
9001689 | CIF | Ca3 H2 O7.5 Si1.5 | C m c 21 | 3.6389; 16.311; 11.829 90; 90; 90 | 702.1 | Dai, Y. S.; Post, J. E. Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement American Mineralogist, 1995, 80, 841-844 |
9003354 | CIF | Al1.956 Ca0.466 H34 K0.24 Na0.69 O31.18 Si10.044 | C m c 21 | 18.096; 20.473; 7.515 90; 90; 90 | 2784.15 | Simoncic, P.; Armbruster, T. Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: natural American Mineralogist, 2004, 89, 421-431 |
9003355 | CIF | Al1.5 H30 Na1.37 O28.86 Si10.5 | C m c 21 | 18.131; 20.507; 7.5221 90; 90; 90 | 2796.81 | Simoncic, P.; Armbruster, T. Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: synthetic American Mineralogist, 2004, 89, 421-431 |
9005793 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.7135; 15.268; 4.5683 90; 90; 90 | 607.756 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9005794 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.641; 15.051; 4.5338 90; 90; 90 | 589.646 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 23 kbar Note: x-coordinate of O2 altered Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9005795 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.587; 14.912; 4.5901 90; 90; 90 | 587.759 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 41 kbar Note: y-coordinate of O3 altered Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9007510 | CIF | Ag5 S4 Sb | C m c 21 | 7.873; 12.467; 8.583 90; 90; 90 | 842.445 | Ribar, B.; Nowacki, W. Die kristallstruktur von stephanit, [SbS3|S|Ag5] Acta Crystallographica, Section B, 1970, 26, 201-207 |
9007740 | CIF | Na2 O7 W2 | C m c 21 | 3.7777; 26.6067; 5.429 90; 90; 90 | 545.68 | Range, K. J.; Haase, H. Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI) Acta Crystallographica, Section C, 1990, 46, 317-318 |
9007849 | CIF | Cu H2 O2 | C m c 21 | 2.9471; 10.593; 5.2564 90; 90; 90 | 164.098 | Oswald, H. R.; Reller, A.; Schmalle, H. W.; Dubler, E. Structure of copper(II) hydroxide, Cu(OH)2 Acta Crystallographica, Section C, 1990, 46, 2279-2284 |
9007959 | CIF | Na3 O S3 V | C m c 21 | 9.6673; 11.9122; 5.8846 90; 90; 90 | 677.664 | Huang, F. Q.; Ibers, J. A. Na3VOS3 Acta Crystallographica, Section E, 2004, 60, i6-i7 |
9008262 | CIF | C2 Ca K0.36 Na1.64 O3 | C m c 21 | 5.044; 8.809; 12.743 90; 90; 90 | 566.205 | McKie, D.; Frankis, E. J. Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania Zeitschrift fur Kristallographie, 1977, 145, 73-95 |
9009749 | CIF | Mg O3 V | C m c 21 | 5.243; 10.028; 5.29 90; 90; 90 | 278.131 | Bouloux, J. C.; Milosevic, I.; Galy, J. Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3 Journal of Solid State Chemistry, 1976, 16, 393-398 |
9010003 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 1 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
9010004 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 2 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
9010121 | CIF | F3 Mg Na | C m c 21 | 2.7143; 8.393; 6.846 90; 90; 90 | 155.96 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa American Mineralogist, 2006, 91, 1703-1706 |
9010358 | CIF | Ca Ir O3 | C m c 21 | 3.13642; 9.88337; 7.29891 90; 90; 90 | 226.255 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 293 K American Mineralogist, 2007, 92, 1912-1918 |
9010359 | CIF | Ca Ir O3 | C m c 21 | 3.1345; 9.87576; 7.29521 90; 90; 90 | 225.827 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 2.0 K American Mineralogist, 2007, 92, 1912-1918 |
9010360 | CIF | Ca Ir O3 | C m c 21 | 3.101; 9.6588; 7.2111 90; 90; 90 | 215.986 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: P = 9.72 GPa, room temp American Mineralogist, 2007, 92, 1912-1918 |
9011275 | CIF | Ag Cu S | C m c 21 | 4.059; 6.617; 7.967 90; 90; 90 | 213.981 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 298 K Acta Crystallographica, Section B, 1991, 47, 891-899 |
9011370 | CIF | C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 | C m c 21 | 10.444; 18.01799; 6.291 90; 90; 90 | 1183.84 | Marsh, R. E. Structure of Na3M3(CO3)5. Corrigendum Acta Crystallographica, Section C, 1989, 45, 1840-1840 |
9011923 | CIF | Be2 K2 O15 Si6 | C m c 21 | 7.485; 15.453; 11.418 90; 90; 90 | 1320.67 | Naumova, I. S.; Pobedimskaya, E. A.; Pushcharovskii D Yu; Belov, N. V.; Altukhova Yu, N. Crystal structure of synthetic K2Be2Si6O15 of the epidimite group Note: c-cell edge altered to reproduce bond lengths Doklady Akademii Nauk SSSR, 1976, 229, 856-859 |
9012381 | CIF | As Pd2 | C m c 21 | 3.245; 16.844; 6.576 90; 90; 90 | 359.436 | Balz, U.; Schubert, K. Kristallstruktur von Pd2As(r) und Pd2Sb Journal of the Less-Common Metals, 1969, 19, 300-304 |
9012532 | CIF | N2 O Si2 | C m c 21 | 8.843; 5.473; 4.835 90; 90; 90 | 234.003 | Idrestedt, I.; Brosset, C. Structure of Si2N2O Acta Chemica Scandinavica, 1964, 18, 1879-1886 |
9012756 | CIF | Al5 H O8 | C m c 21 | 5.6152; 9.7264; 8.8241 90; 90; 90 | 481.934 | Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R. Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum, Journal of Physics: Conference Series, 2008, 117, 012013-012013 |
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 |
9013386 | CIF | Al4.5 B0.5 O9.5 Si | C m c 21 | 5.7168; 15.023; 7.675 90; 90; 90 | 659.156 | Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G. Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic "boron-mullite" Locality: Mount Safford, central Australia European Journal of Mineralogy, 2008, 20, 935-950 |
9013429 | CIF | Ag5 S4 Sb | C m c 21 | 7.8329; 12.458; 8.5272 90; 90; 90 | 832.104 | Leitl, M.; Pfitzner, A.; Bindi, L. Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009 Mineralogical Magazine, 2009, 73, 17-26 |
9013782 | CIF | Cu3 H7.3 O8 S0.5 | C m c 21 | 2.989; 16.97; 14.812 90; 90; 90 | 751.314 | Orlandi, P.; Bonaccorsi, E. Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy Locality: Monte Trisa, Vicenza, Italy The Canadian Mineralogist, 2009, 47, 143-151 |
9014041 | CIF | Ni7 P7 | C m c 21 | 23.801; 5.9238; 4.8479 90; 90; 90 | 683.517 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
9015251 | CIF | O5 Pb3 Se | C m c 21 | 10.5384; 10.7452; 5.7577 90; 90; 90 | 651.986 | Kampf, A. R.; Mills, S. J.; Pinch, W. W. Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia Mineralogy and Petrology, 2011, 101, 75-80 |
9016993 | CIF | Mg2 O4 Si | C m c 21 | 2.64; 8.596; 9.04 90; 90; 90 | 205.149 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
9016994 | CIF | Mg2 O4 Si | C m c 21 | 2.591; 8.726; 8.794 90; 90; 90 | 198.824 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
9017155 | CIF | Cu3 H7 O8 S0.5 | C m c 21 | 2.989; 16.97; 14.812 90; 90; 90 | 751.314 | Orlandi, P.; Bonaccorsi, E. Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy The Canadian Mineralogist, 2009, 47, 143-151 |
9017380 | CIF | Al H O2 | C m c 21 | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017382 | CIF | Fe H O2 | C m c 21 | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
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