Crystallography Open Database

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Searching space group like 'P -6 c 2'

COD ID: 1001065
CIF file Formula: - Ba Ge2.5 O9 Si1.5 -
Comments: Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee Materials Research Bulletin 8 (1973) 1205-1214
Space group: P -6 c 2
Cell volume: 373.5
Cell parameters: 6.667; 6.667; 9.703; 90; 90; 120;  

COD ID: 1001074
CIF file Formula: - Ge3 K O9 Ta -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 427
Cell parameters: 6.972; 6.972; 10.144; 90; 90; 120;  

COD ID: 1001075
CIF file Formula: - Ge3 O9 Rb Ta -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux qermanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434.3
Cell parameters: 7.041; 7.041; 10.116; 90; 90; 120;  

COD ID: 1001076
CIF file Formula: - Ge3 Nb O9 Rb -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434.6
Cell parameters: 7.038; 7.038; 10.132; 90; 90; 120;  

COD ID: 1001077
CIF file Formula: - Ge3 O9 Ta Tl -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434
Cell parameters: 7.036; 7.036; 10.124; 90; 90; 120;  

COD ID: 1001078
CIF file Formula: - Ba Ge3 O9 Sn -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 421.2
Cell parameters: 6.894; 6.894; 10.233; 90; 90; 120;  

COD ID: 1001773
CIF file Formula: - Ba O9 Si3 Sn -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 385.7
Cell parameters: 6.728; 6.728; 9.838; 90; 90; 120;  

COD ID: 1007080
CIF file Formula: - K Mg O9 P3 -
Comments: Masse, R; Grenier, J C; Durif, A Trimetaphosphates mixtes N H~4~ M(II) P~3~ O~9~ isomorphes de la benitoite Bulletin de la Societe Chimique de France (Vol=Year) 1968 (1968) 1741-1742
Space group: P -6 c 2
Cell volume: 369.2
Cell parameters: 6.605; 6.605; 9.772; 90; 90; 120;  

COD ID: 1007257
CIF file Formula: - K Mg O9 P3 -
Comments: Masse, R; Grenier, J C; Averbuch-Pouchot, M T; Tranqui, D; Durif, A Etude cristallographique de trimetaphosphates hexagonaux du type M(II) N H4 (P O3)3 (M(II)= Zn, Co, Ca, Cd, Mg, Mn). Etude d'un cycle P3 O9 dans un sel de potassium isomorphe. Mg K (P O3)3 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 158-161
Space group: P -6 c 2
Cell volume: 369.2
Cell parameters: 6.605; 6.605; 9.772; 90; 90; 120;  

COD ID: 1010959
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Zachariasen, W H The crystal structure of Benitoite Ba Ti Si3 O9 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 139-146
Space group: P -6 c 2
Cell volume: 366.3
Cell parameters: 6.6; 6.6; 9.71; 90; 90; 120;  

COD ID: 1510740
CIF file Formula: - B2 Be2 O7 Sr2 -
Comments: Wu, K.-C.; Zeng, W.-I.; Chen, C.-T.; Wu, B.-C.; Yu, L.-H.; Wang, Y.-B. Design and synthesis of an ultraviolet-transparent nonlinear optical crystal Sr2 Be2 B2 O7 Nature (London) 373 (1995) 322-324
Space group: P -6 c 2
Cell volume: 290.792
Cell parameters: 4.683; 4.683; 15.311; 90; 90; 120;  

COD ID: 1511281
CIF file Formula: - B O3 Tm -
Comments: Redman, M.J.; Santoro, R.P.; Newnham, R.E. Crystal structure of yttrium and other rare-earth borates Journal of the American Ceramic Society 46 (1963) 253-256
Space group: P -6 c 2
Cell volume: 326.334
Cell parameters: 6.54; 6.54; 8.81; 90; 90; 120;  

COD ID: 1527375
CIF file Formula: - Ba5 Ga6 -
Comments: Fornasini, M.L.; Pani, M. Ba5 Ga6: a phase with octahedral clusters of gallium Journal of Alloys Compd. 205 (1994) 179-181
Space group: P -6 c 2
Cell volume: 751.835
Cell parameters: 7.771; 7.771; 14.376; 90; 90; 120;  

COD ID: 1528300
CIF file Formula: - Be3 F9 K Zn -
Comments: Aleonard, S.; le Fur, Y. Fluoroberyllates de structure benitoite Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 89 (1966) 425-427
Space group: P -6 c 2
Cell volume: 361.151
Cell parameters: 6.583; 6.583; 9.623; 90; 90; 120;  

COD ID: 1529157
CIF file Formula: - Br6 Cs3.91 Re6 S8 -
Comments: Pilet, G.; Perrin, A. New compounds in the cesium sulfobromide rhenium octahedral cluster chemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and Cs2 Re6 S8 Br4 Solid State Sciences 6 (2004) 109-116
Space group: P -6 c 2
Cell volume: 1556.77
Cell parameters: 9.7825; 9.7825; 18.7843; 90; 90; 120;  

COD ID: 1532921
CIF file Formula: - Ce N O2 Si -
Comments: Morgan, P.E.D.; Carroll, P.J. The crystal structures of Ce Si O2 N and La Si O2 N Journal of Materials Science 12 (1977) 2343-2344
Space group: P -6 c 2
Cell volume: 431.291
Cell parameters: 7.256; 7.256; 9.459; 90; 90; 120;  

COD ID: 1532923
CIF file Formula: - La N O2 Si -
Comments: Morgan, P.E.D.; Carroll, P.J. The cyrstal structures of Ce Si O2 N and La Si O2 N Journal of Materials Science 12 (1977) 2343-2344
Space group: P -6 c 2
Cell volume: 441.946
Cell parameters: 7.31; 7.31; 9.55; 90; 90; 120;  

COD ID: 1540898
CIF file Formula: - Nd O19 Ta7 -
Comments: Schaffrath, U.; Gruehn, R. Zum chemischen Transport von Verbindungen Des Typs Ln Ta7 O19 (Ln= La-Nd) mit einer Bemerkung zur Strukturverfeinerung von Nd Ta7 O19 Zeitschrift fuer Anorganische und Allgemeine Chemie 588 (1990) 43-54
Space group: P -6 c 2
Cell volume: 668.682
Cell parameters: 6.2229; 6.2229; 19.939; 90; 90; 120;  

COD ID: 1561859
CIF file Formula: - Bi O19 Ta7 -
Comments: Boltersdorf, Jonathan; Maggard, Paul A. Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers Journal of Solid State Chemistry 229 (2015) 310-321
Space group: P -6 c 2
Cell volume: 671.052
Cell parameters: 6.219769; 6.219769; 20.02981; 90; 90; 120;  

COD ID: 1562157
CIF file Formula: - Co K O9 P3 -
Comments: Ben Smida, Y.; Guesmi, A.; Georges, S.; Zid, M.F. Synthesis, crystal structure and electrical proprieties of new phosphate KCoP3O9 Journal of Solid State Chemistry 221 (2015) 278-284
Space group: P -6 c 2
Cell volume: 371.05
Cell parameters: 6.6161; 6.6161; 9.788; 90; 90; 120;  

COD ID: 2004425
CIF file

Original IUCr paper

 Formula: - Dy O19 Ta7 -
Comments: Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E. Dysprosium Tantalum Oxide, DyTa~7~O~19~ Acta Crystallographica Section C 52(1) (1996) 5-7
Space group: P -6 c 2
Cell volume: 660.9
Cell parameters: 6.199; 6.199; 19.859; 90; 90; 120;  

COD ID: 2203237
CIF file Formula: - Ca K O9 P3 -
Comments: Malin Sandström; Dan Boström Calcium potassium cyclo-triphosphate Acta Crystallographica, Section E 60(2) (2004) i15-i17
Space group: P -6 c 2
Cell volume: 416.61
Cell parameters: 6.809; 6.809; 10.376; 90; 90; 120;  

COD ID: 2310096
CIF file Formula: - B O3 Yb -
Comments: Graf, D.L.; Bradley, W.F.; Roth, R.S. The vaterite-type A B O3 rare-earth borates Acta Crystallographica (1,1948-23,1967) 20 (1966) 283-287
Space group: P -6 c 2
Cell volume: 315.869
Cell parameters: 6.46; 6.46; 8.74; 90; 90; 120;  

COD ID: 4003212
CIF file Formula: - C F K O3 Zn -
Comments: Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series Chemistry of Materials 27(21) (2015) 7520
Space group: P -6 c 2
Cell volume: 182.21
Cell parameters: 5.0182; 5.0182; 8.355; 90; 90; 120;  

COD ID: 4003213
CIF file Formula: - C Cd F K O3 -
Comments: Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series Chemistry of Materials 27(21) (2015) 7520
Space group: P -6 c 2
Cell volume: 202
Cell parameters: 5.1349; 5.1349; 8.846; 90; 90; 120;  

COD ID: 4003214
CIF file Formula: - C Cd F O3 Rb -
Comments: Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series Chemistry of Materials 27(21) (2015) 7520
Space group: P -6 c 2
Cell volume: 213.16
Cell parameters: 5.2109; 5.2109; 9.0645; 90; 90; 120;  

COD ID: 4003215
CIF file Formula: - C F O3 Rb Zn -
Comments: Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series Chemistry of Materials 27(21) (2015) 7520
Space group: P -6 c 2
Cell volume: 194.41
Cell parameters: 5.1035; 5.1035; 8.619; 90; 90; 120;  

COD ID: 4300164
CIF file Formula: - C15 H19 B F6 N9 P Ru -
Comments: Eva Rüba; Walter Simanko; Kurt Mereiter; Roland Schmid; Karl Kirchner Comparing the Isoelectronic Complexes [RuTp(CH3CN)3]PF6 (Tp = Hydridotris(pyrazolyl)borate) and [RuCp(CH3CN)3]PF6. Structure and Acetonitrile Exchange Kinetics Inorganic Chemistry 39 (2000) 382-384
Space group: P -6 c 2
Cell volume: 4235
Cell parameters: 18.726; 18.726; 13.944; 90; 90; 120;  

COD ID: 4309732
CIF file Formula: - C18 H27 I7 N9 U2 -
Comments: Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu Uranium(III)/(IV) Nitrile Adducts Including UI4(NτbCPh)4, a Synthetically Useful Uranium(IV) Complex Inorganic Chemistry 44 (2005) 7403-7413
Space group: P -6 c 2
Cell volume: 2231.6
Cell parameters: 10.9169; 10.9169; 21.622; 90; 90; 120;  

COD ID: 4328285
CIF file Formula: - C5 H2.5 Co0.5 Fe0.5 O1.5 S -
Comments: Satoru Tsukada; Yusuke Shibata; Ryota Sakamoto; Tetsuya Kambe; Tomoji Ozeki; Hiroshi Nishihara Ir3Co6 and Co3Fe3 Dithiolene Cluster Complexes: Multiple Metal-Metal Bond Formation and Correlation between Structure and Internuclear Electronic Communication Inorganic Chemistry 51 (2012) 1228-1230
Space group: P -6 c 2
Cell volume: 1785.4
Cell parameters: 12.137; 12.137; 13.995; 90; 90; 120;  

COD ID: 4349725
CIF file Formula: - Ba9 Sn2.94 Te15 -
Comments: Zhang, Jun; Su, Rui; Wang, Xiancheng; Li, Wenmin; Zhao, Jianfa; Deng, Zheng; Zhang, Sijia; Feng, Shaomin; Liu, Qingqing; Zhao, Huaizhou; Guan, Pengfei; Jin, Changqing Synthesis, crystal structures, and electronic properties of one dimensional Ba9Sn3(Te1−xSex)15 (x = 0‒1) Inorganic Chemistry Frontiers 4(8) (2017) 1337
Space group: P -6 c 2
Cell volume: 1886.4
Cell parameters: 10.2403; 10.2403; 20.772; 90; 90; 120;  

COD ID: 7001823
CIF file Formula: - C21 H64 N8 O14 -
Comments: Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane A novel trisprotonated β-dialdiminate cryptand Dalton Transactions (issue 32) (2009) 6315-6326
Space group: P -6 c 2
Cell volume: 1899
Cell parameters: 8.0397; 8.0397; 33.925; 90; 90; 120;  

COD ID: 7025296
CIF file Formula: - C84 H150 Cl6 Cu6 N24 Na2 Ni2 O54 -
Comments: Pardo, Emilio; Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Julve, Miguel; Lloret, Francesc; Ruiz-García, Rafael; Cano, Joan Variation of the ground spin state in homo- and hetero-octanuclear copper(ii) and nickel(ii) double-star complexes with a meso-helicate-type metallacryptand core Dalton Transactions 39(20) (2010) 4786
Space group: P -6 c 2
Cell volume: 8330
Cell parameters: 17.426; 17.426; 31.674; 90; 90; 120;  

COD ID: 7102578
CIF file Formula: - C84 H174 Cl6 Cu8 N24 Na2 O54 -
Comments: Pardo, Emilio; Bernot, Kevin; Julve, Miguel; Lloret, Francesc; Cano, Joan; Ruiz-García, Rafael; Pasán, Jorge; Ruiz-Pérez, Catalina; Ottenwaelder, Xavier; Journaux, Yves Self-assembly and magnetic properties of a double-propeller octanuclear copper(II) complex with a meso-helicate-type metallacryptand core. Chemical communications (Cambridge, England) (issue 8) (2004) 920-921
Space group: P -6 c 2
Cell volume: 8338.1
Cell parameters: 17.4169; 17.4169; 31.739; 90; 90; 120;  

COD ID: 7109720
CIF file Formula: - C42 H36 Cl7 Cr3 Cu3 N6 O16 -
Comments: Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks Chem.Commun. 49 (2013) 8154
Space group: P -6 c 2
Cell volume: 4322
Cell parameters: 13.469; 13.469; 27.51; 90; 90; 120;  

COD ID: 7206886
CIF file Formula: - Ba Hf O9 Si3 -
Comments: Wang, De-Yin; Wu, Yun-Chen; Chen, Teng-Ming Synthesis, crystal structure, and photoluminescence of a novel blue-green emitting phosphor: BaHfSi3O9:Eu2+ Journal of Materials Chemistry 21(45) (2011) 18261
Space group: P -6 c 2
Cell volume: 397.479
Cell parameters: 6.77318; 6.77318; 10.00456; 90; 90; 120;  

COD ID: 7237230
CIF file Formula: - C96 H54 Co6 N24 O25 -
Comments: Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials Journal of Materials Chemistry A 7(9) (2019) 4640
Space group: P -6 c 2
Cell volume: 7660.8
Cell parameters: 19.2411; 19.2411; 23.8936; 90; 90; 120;  

COD ID: 9007962
CIF file Formula: - Ca K O9 P3 -
Comments: Sandstrom, M.; Bostrom, D. Calcium potassium cyclo-triphosphate Acta Crystallographica, Section E 60 (2004) i15-i17
Space group: P -6 c 2
Cell volume: 416.608
Cell parameters: 6.809; 6.809; 10.376; 90; 90; 120;  

COD ID: 9008010
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Zachariasen, W. H. The crystal structure of benitoite, BaTiSi3O9 Zeitschrift fur Kristallographie 74 (1930) 139-146
Space group: P -6 c 2
Cell volume: 367.432
Cell parameters: 6.6; 6.6; 9.74; 90; 90; 120;  

COD ID: 9008168
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Fisher, V. K. Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9] Sample: Dallas Gem Mine, San Benito, Ca Zeitschrift fur Kristallographie 129 (1969) 222-243
Space group: P -6 c 2
Cell volume: 372.737
Cell parameters: 6.641; 6.641; 9.759; 90; 90; 120;  

COD ID: 9009330
CIF file Formula: - Ba O9 Si3 Sn0.77 Ti0.23 -
Comments: Hawthorne, F. C. The crystal chemistry of the benitoite group minerals and structural relations in (Si3O9) ring structures Sample: "occurs in small fractures and as scattered grains in recrystallized siliceous limestone at Santa Cruz, Ca" Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 16-30
Space group: P -6 c 2
Cell volume: 382.339
Cell parameters: 6.7037; 6.7037; 9.824; 90; 90; 120;  

COD ID: 9009331
CIF file Formula: - Ba O9 Si3 Ti0.03 Zr0.97 -
Comments: Hawthorne, F. C. The crystal chemistry of the benitoite group minerals and structural relations in (Si3O9) ring structures Sample: "late-stage interstitial mineral in aegirine-riebeckite granite", Rockall Island, Scotland Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 16-30
Space group: P -6 c 2
Cell volume: 390.893
Cell parameters: 6.742; 6.742; 9.93; 90; 90; 120;  

COD ID: 9014388
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 373.229
Cell parameters: 6.643; 6.643; 9.766; 90; 90; 120;  

COD ID: 9014925
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 367.871
Cell parameters: 6.6094; 6.6094; 9.7239; 90; 90; 120;  

COD ID: 9015046
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 366.645
Cell parameters: 6.6031; 6.6031; 9.71; 90; 90; 120;  

COD ID: 9015194
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 358.751
Cell parameters: 6.5518; 6.5518; 9.6503; 90; 90; 120;  

COD ID: 9016221
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 3.56 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 361.751
Cell parameters: 6.5689; 6.5689; 9.6804; 90; 90; 120;  

COD ID: 9016710
CIF file Formula: - Ba O9 Si3 Ti -
Comments: Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.01 GPa American Mineralogist 97 (2012) 1749-1763
Space group: P -6 c 2
Cell volume: 359.969
Cell parameters: 6.5605; 6.5605; 9.6574; 90; 90; 120;  


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