# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-02-10T17:24:15+01:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'P -6 c 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1001065","6.667","","6.667","","9.703","0.005","90","","90","","120","","373.5","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium silicate germanate *","","- Ba Ge2.5 O9 Si1.5 -","- Ba Ge2.5 O9 Si1.5 -","- Ba2 Ge5 O18 Si3 -","2","0.166667","","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","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001074","6.972","0.005","6.972","0.005","10.144","0.005","90","","90","","120","","427","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium tantalum cyclo-trigermanate","","- Ge3 K O9 Ta -","- Ge3 K O9 Ta -","- Ge6 K2 O18 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001075","7.041","0.005","7.041","0.005","10.116","0.005","90","","90","","120","","434.3","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium tantalum cyclo-trigermanate","","- Ge3 O9 Rb Ta -","- Ge3 O9 Rb Ta -","- Ge6 O18 Rb2 Ta2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux qermanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001076","7.038","0.005","7.038","0.005","10.132","0.005","90","","90","","120","","434.6","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Rubidium niobium cyclo-trigermanate","","- Ge3 Nb O9 Rb -","- Ge3 Nb O9 Rb -","- Ge6 Nb2 O18 Rb2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001077","7.036","0.005","7.036","0.005","10.124","0.005","90","","90","","120","","434","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Thallium tantalum cyclo-trigermanate","","- Ge3 O9 Ta Tl -","- Ge3 O9 Ta Tl -","- Ge6 O18 Ta2 Tl2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001078","6.894","0.005","6.894","0.005","10.233","0.005","90","","90","","120","","421.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trigermanate","","- Ba Ge3 O9 Sn -","- Ba Ge3 O9 Sn -","- Ba2 Ge6 O18 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1001773","6.728","0.005","6.728","0.005","9.838","0.005","90","","90","","120","","385.7","","","","","","","","","","","","synthetic","4","P -6 c 2","P -6c 2","188","","Barium tin(IV) cyclo-trisilicate","Pabstite","- Ba O9 Si3 Sn -","- Ba O9 Si3 Sn -","- Ba2 O18 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Sur de nouveaux germanates et silicates de type benitoite","Journal of Solid State Chemistry","1972","4","","209","218","10.1016/0022-4596(72)90107-7","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1007080","6.605","","6.605","","9.772","","90","","90","","120","","369.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium magnesium catena-phosphate","","- K Mg O9 P3 -","- K Mg O9 P3 -","- K2 Mg2 O18 P6 -","2","0.166667","","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","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1007257","6.605","","6.605","","9.772","","90","","90","","120","","369.2","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Potassium magnesium tris(catena-phosphate(V))","","- K Mg O9 P3 -","- K Mg O9 P3 -","- K2 Mg2 O18 P6 -","2","0.166667","","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)","1967","90","","158","161","","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1010959","6.6","0.01","6.6","0.01","9.71","0.01","90","","90","","120","","366.3","","","","","","","","","","","","from St. Benito, California","4","P -6 c 2","P -6c 2","188","","Barium titanium cyclo-trisilicate","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","Zachariasen, W H","The crystal structure of Benitoite Ba Ti Si3 O9","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","139","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1510740","4.683","","4.683","","15.311","","90","","90","","120","","290.792","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Sr2 (Be2 B2 O7)","","- B2 Be2 O7 Sr2 -","- B2 Be2 O7 Sr2 -","- B4 Be4 O14 Sr4 -","2","0.166667","","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)","1995","373","","322","324","10.1038/373322a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511281","6.54","","6.54","","8.81","","90","","90","","120","","326.334","","","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Tm (B O3)","","- B O3 Tm -","- B O3 Tm -","- B6 O18 Tm6 -","6","0.5","","Redman, M.J.; Santoro, R.P.; Newnham, R.E.","Crystal structure of yttrium and other rare-earth borates","Journal of the American Ceramic Society","1963","46","","253","256","10.1111/j.1151-2916.1963.tb11721.x","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1527375","7.771","","7.771","","14.376","","90","","90","","120","","751.835","","","","","","","","","","","","","2","P -6 c 2","P -6c 2","188","","","","- Ba5 Ga6 -","- Ba4.96 Ga6 -","- Ba9.92 Ga12 -","2","0.166667","","Fornasini, M.L.; Pani, M.","Ba5 Ga6: a phase with octahedral clusters of gallium","Journal of Alloys Compd.","1994","205","","179","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1528300","6.583","","6.583","","9.623","","90","","90","","120","","361.151","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","K Zn (Be F3)3","","- Be3 F9 K Zn -","- Be3 F9 K Zn -","- Be6 F18 K2 Zn2 -","2","0.166667","","Aleonard, S.; le Fur, Y.","Fluoroberyllates de structure benitoite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1966","89","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1529157","9.7825","","9.7825","","18.7843","","90","","90","","120","","1556.77","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Cs3.91 (S8 (Re Br)6)","","- Br6 Cs3.91 Re6 S8 -","- Br6 Cs3.912 Re6 S8 -","- Br12 Cs7.824 Re12 S16 -","2","0.166667","","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","2004","6","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","152220","2020-10-21","18:00:00","" "1532921","7.256","","7.256","","9.459","","90","","90","","120","","431.291","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Ce Si O2 N","","- Ce N O2 Si -","- Ce N O2 Si -","- Ce6 N6 O12 Si6 -","6","0.5","","Morgan, P.E.D.; Carroll, P.J.","The crystal structures of Ce Si O2 N and La Si O2 N","Journal of Materials Science","1977","12","","2343","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532923","7.31","","7.31","","9.55","","90","","90","","120","","441.946","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","La Si O2 N","","- La N O2 Si -","- La N O2 Si -","- La6 N6 O12 Si6 -","6","0.5","","Morgan, P.E.D.; Carroll, P.J.","The cyrstal structures of Ce Si O2 N and La Si O2 N","Journal of Materials Science","1977","12","","2343","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1540898","6.2229","","6.2229","","19.939","","90","","90","","120","","668.682","","","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Nd (Ta7 O19)","","- Nd O19 Ta7 -","- Nd O19 Ta7 -","- Nd2 O38 Ta14 -","2","0.166667","","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","1990","588","","43","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1561859","6.219769","0.000017","6.219769","","20.02981","0.00009","90","","90","","120","","671.052","0.004","","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Bi O19 Ta7 -","- Bi O19 Ta7 -","- Bi2 O38 Ta14 -","2","0.166667","","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","2015","229","","310","321","10.1016/j.jssc.2015.06.019","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","264244","2021-04-16","09:01:15","" "1562157","6.6161","0.0007","6.6161","0.001","9.788","0.003","90","","90","","120","","371.05","0.13","298","2","298","2","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Co K O9 P3 -","- Co K O9 P3 -","- Co2 K2 O18 P6 -","2","0.166667","","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","2015","221","","278","284","10.1016/j.jssc.2014.09.026","","","0.71073","MoKα","","0.0142","0.0141","","","0.0382","0.0383","","","","","","1.231","","","","has coordinates","264586","2021-04-27","09:17:36","" "1572795","19.7252","0.001","19.7252","0.001","23.5747","0.0011","90","","90","","120","","7943.6","0.7","218","13","218","13","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C105 H63 Co6 N15 O25 -","- C105 H63 Co6 N15 O25 -","- C210 H126 Co12 N30 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","x-ray","0.71073","MoKα","","0.0955","0.0787","","","0.2238","0.2389","","","","","","1.066","","","","has coordinates","296394","2024-12-06","16:42:51","" "1572796","19.8699","0.0004","19.8699","0.0004","23.3404","0.0007","90","","90","","120","","7980.5","0.3","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","","0.71073","MoKα","","0.1213","0.0673","","","0.1837","0.2125","","","","","","1.006","","","","has coordinates","296394","2024-12-06","16:42:53","" "2004425","6.199","0.003","6.199","0.003","19.859","0.006","90","","90","","120","","660.9","0.5","293","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Dy O19 Ta7 -","- Dy0.1667 O14.8332 Ta6.1667 -","- Dy0.3334 O29.6664 Ta12.3334 -","2","0.166667","OH1087","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","1996","52","1","5","7","10.1107/S0108270195010353","","","0.71069","MoKα","","","0.0471","","","0.0548","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2203237","6.809","0.0003","6.809","0.0003","10.376","0.0009","90","","90","","120","","416.61","0.04","293","2","293","2","","","","","","","","4","P -6 c 2","P -6c 2","188","","Calcium potassium cyclo-triphosphate","","- Ca K O9 P3 -","- Ca K O9 P3 -","- Ca2 K2 O18 P6 -","2","0.166667","","Malin Sandström; Dan Boström","Calcium potassium cyclo-triphosphate","Acta Crystallographica, Section E","2004","60","2","i15","i17","10.1107/S1600536804000303","","","0.71073","MoKα","","0.0248","0.024","","","0.0556","0.056","","","","","","1.182","","","","has coordinates","277836","2022-09-14","17:02:02","" "2310096","6.46","","6.46","","8.74","","90","","90","","120","","315.869","","","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Yb (B O3)","","- B O3 Yb -","- B O3 Yb -","- B6 O18 Yb6 -","6","0.5","","Graf, D.L.; Bradley, W.F.; Roth, R.S.","The vaterite-type A B O3 rare-earth borates","Acta Crystallographica (1,1948-23,1967)","1966","20","","283","287","10.1107/S0365110X66000549","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "4003212","5.0182","0.0006","5.0182","0.0006","8.355","0.002","90","","90","","120","","182.21","0.05","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F K O3 Zn -","- C F K O3 Zn -","- C2 F2 K2 O6 Zn2 -","2","0.166667","","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","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0107","0.0106","","","0.0233","0.0234","","","","","","1.018","","","","has coordinates","231433","2020-10-21","18:00:00","" "4003213","5.1349","0.0013","5.1349","0.0013","8.846","0.004","90","","90","","120","","202","0.12","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F K O3 -","- C Cd F K O3 -","- C2 Cd2 F2 K2 O6 -","2","0.166667","","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","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0105","0.0104","","","0.0247","0.0247","","","","","","1.227","","","","has coordinates","231434","2020-10-21","18:00:00","" "4003214","5.2109","0.0007","5.2109","0.0007","9.0645","0.0019","90","","90","","120","","213.16","0.06","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F O3 Rb -","- C Cd F O3 Rb -","- C2 Cd2 F2 O6 Rb2 -","2","0.166667","","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","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0128","0.0116","","","0.0244","0.025","","","","","","1.183","","","","has coordinates","231435","2020-10-21","18:00:00","" "4003215","5.1035","0.0009","5.1035","0.0009","8.619","0.004","90","","90","","120","","194.41","0.1","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F O3 Rb Zn -","- C F O2.997 Rb Zn -","- C2 F2 O5.994 Rb2 Zn2 -","2","0.166667","","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","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0228","0.0172","","","0.032","0.0332","","","","","","1.01","","","","has coordinates,has disorder","231436","2020-10-21","18:00:00","" "4300164","18.726","0.008","18.726","0.008","13.944","0.006","90","","90","","120","","4235","3","295","2","295","2","","","","","","","","7","P -6 c 2","P -6c 2","188","","tris(acetonitrile)-(hydrogen tris(pyrazol-1-yl)borate)-ruthenium(ii) hexafluorophosphate dichloromethane/diethylether solvate","","- C15 H19 B F6 N9 P Ru -","- C23.0833 H19 B F4 N9 P0.666667 Ru -","- C138.5 H114 B6 F24 N54 P4 Ru6 -","6","0.5","","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","2000","39","","382","384","10.1021/ic991013k","","","0.71073","MoKα","","0.0757","0.0514","","","0.1095","0.1255","","","","","","1.118","","","","has coordinates","134573","2020-10-21","18:00:00","" "4309732","10.9169","0.0019","10.9169","0.0019","21.622","0.005","90","","90","","120","","2231.6","0.8","203","2","203","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C18 H27 I7 N9 U2 -","- C18 H18 I7 N9 U2 -","- C36 H36 I14 N18 U4 -","2","0.166667","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.0749","0.0694","","","0.2141","0.2167","","","","","","1.867","","","","has coordinates","179135","2020-10-21","18:00:00","" "4328285","12.137","0.005","12.137","0.005","13.995","0.005","90","0.005","90","0.005","120","0.005","1785.4","1.2","113","2","113","","","","","","","","","6","P -6 c 2","P -6c 2","188","","","","- C5 H2.5 Co0.5 Fe0.5 O1.5 S -","- C4.954 H2.385 Co0.477 Fe0.523 O1.569 S -","- C59.448 H28.62 Co5.724 Fe6.276 O18.828 S12 -","12","1","","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","2012","51","","1228","1230","10.1021/ic202548g","","","0.71069","MoKα","","","0.0824","","","","0.2547","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4349725","10.2403","0.001","10.2403","0.001","20.772","0.0019","90","","90","","120","","1886.4","0.3","298","","299.65","","","","","","","","","3","P -6 c 2","P -6c 2","188","","Ba9Sn3Te15","","- Ba9 Sn2.94 Te15 -","- Ba9 Sn2.928 Te14.978 -","- Ba18 Sn5.856 Te29.956 -","2","0.166667","","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","2017","4","8","1337","","10.1039/C7QI00219J","","","0.71073","MoKα","","0.0284","0.0265","","","0.0558","0.0566","","","","","","1.188","","","","has coordinates,has disorder","235768","2020-10-21","18:00:00","" "7001823","8.0397","0.0009","8.0397","0.0009","33.925","0.004","90","","90","","120","","1899","0.4","150","2","150","2","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- C21 H64 N8 O14 -","- C21 H63.92 N8 O13.98 -","- C42 H127.84 N16 O27.96 -","2","0.166667","","Chin, Aileen; Edgar, Mark; Harding, Charles J; McKee, Vickie; Nelson, Jane","A novel trisprotonated β-dialdiminate cryptand","Dalton Transactions","2009","","32","6315","6326","10.1039/b821237f","","","0.71073","MoKα","","0.0758","0.0689","","","0.1941","0.2018","","","","","","1.085","","","","has coordinates,has disorder","179716","2020-10-21","18:00:00","" "7025296","17.426","0.003","17.426","0.003","31.674","0.006","90","","90","","120","","8330","3","293","2","293","2","","","","","","","","8","P -6 c 2","P -6c 2","188","","","","- C84 H150 Cl6 Cu6 N24 Na2 Ni2 O54 -","- C84 H150 Cl6.02 Cu6 N24 Na2 Ni2 O54.08 -","- C168 H300 Cl12.04 Cu12 N48 Na4 Ni4 O108.16 -","2","0.166667","","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","2010","39","20","4786","","10.1039/b926709c","","","0.7293","","","0.0992","0.097","","","0.2465","0.2504","","","","","","1.173","","","","has coordinates","179958","2020-10-21","18:00:00","" "7102578","17.4169","0.0011","17.4169","0.0011","31.739","0.002","90","","90","","120","","8338.1","0.9","293","2","293","2","","","","","","","","7","P -6 c 2","P -6c 2","188","","","","- C84 H174 Cl6 Cu8 N24 Na2 O54 -","- C84 H150 Cl5.98 Cu8 N24 Na2 O55.97 -","- C168 H300 Cl11.96 Cu16 N48 Na4 O111.94 -","2","0.166667","","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)","2004","","8","920","921","10.1039/b316081e","","","0.71073","MoKα","","0.2243","0.0893","","","0.1473","0.3789","","","","","","1.108","","","","has coordinates","180127","2020-10-21","18:00:00","" "7109720","13.469","0.012","13.469","0.012","27.51","0.02","90","","90","","120","","4322","6","228","2","228","2","","","","","","","","7","P -6 c 2","P -6c 2","188","","","","- C42 H36 Cl7 Cr3 Cu3 N6 O16 -","- C42 H36 Cl7 Cr3 Cu3 N6 O16 -","- C84 H72 Cl14 Cr6 Cu6 N12 O32 -","2","0.166667","","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.","2013","49","","8154","","10.1039/c3cc44133d","","","1.54178","CuKα","","0.0599","0.0449","","","0.0887","0.0936","","","","","","0.946","","","","has coordinates","180203","2020-10-21","18:00:00","" "7206886","6.77318","0.00008","6.77318","","10.00456","0.0002","90","","90","","120","","397.479","0.009","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Ba Hf O9 Si3 -","- Ba Hf O9 Si3 -","- Ba2 Hf2 O18 Si6 -","2","0.166667","","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","2011","21","45","18261","","10.1039/c1jm13438h","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08928","","2.12","","","","","","","has coordinates","180399","2020-10-21","18:00:00","" "7237230","19.2411","0.0006","19.2411","0.0006","23.8936","0.0011","90","","90","","120","","7660.8","0.5","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C96 H54 Co6 N24 O25 -","- C96 H54 Co6 N24 O25 -","- C192 H108 Co12 N48 O50 -","2","0.166667","","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","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.0915","0.0759","","","0.1939","0.2043","","","","","","0.972","","","","has coordinates","237504","2020-10-21","18:00:00","" "9007962","6.809","","6.809","","10.376","","90","","90","","120","","416.608","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Ca K O9 P3 -","- Ca K O9 P3 -","- Ca2 K2 O18 P6 -","2","0.166667","","Sandstrom, M.; Bostrom, D.","Calcium potassium cyclo-triphosphate","Acta Crystallographica, Section E","2004","60","","i15","i17","10.1107/S1600536804000303","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008010","6.6","","6.6","","9.74","","90","","90","","120","","367.432","","","","","","","","","","","","Dallas Gem Mine, San Benito, Ca","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","Zachariasen, W. H.","The crystal structure of benitoite, BaTiSi3O9","Zeitschrift fur Kristallographie","1930","74","","139","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9008168","6.641","","6.641","","9.759","","90","","90","","120","","372.737","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","Fisher, V. K.","Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9] Sample: Dallas Gem Mine, San Benito, Ca","Zeitschrift fur Kristallographie","1969","129","","222","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05","" "9009330","6.7037","","6.7037","","9.824","","90","","90","","120","","382.339","","","","","","","","","","","","","5","P -6 c 2","P -6c 2","188","","","Pabstite","- Ba O9 Si3 Sn0.77 Ti0.23 -","- Ba O9 Si3 Sn0.77 Ti0.23 -","- Ba2 O18 Si6 Sn1.54 Ti0.46 -","2","0.166667","","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","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9009331","6.742","","6.742","","9.93","","90","","90","","120","","390.893","","","","","","","","","","","","","5","P -6 c 2","P -6c 2","188","","","Bazirite","- Ba O9 Si3 Ti0.03 Zr0.97 -","- Ba O9 Si3 Ti0.03 Zr0.97 -","- Ba2 O18 Si6 Ti0.06 Zr1.94 -","2","0.166667","","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","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30","" "9014388","6.643","","6.643","","9.766","","90","","90","","120","","373.229","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17","" "9014925","6.6094","","6.6094","","9.7239","","90","","90","","120","","367.871","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18","" "9015046","6.6031","","6.6031","","9.71","","90","","90","","120","","366.645","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18","" "9015194","6.5518","","6.5518","","9.6503","","90","","90","","120","","358.751","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19","" "9016221","6.5689","","6.5689","","9.6804","","90","","90","","120","","361.751","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54","" "9016710","6.5605","","6.5605","","9.6574","","90","","90","","120","","359.969","","","","","","","","","","","","San Benito, California, USA","4","P -6 c 2","P -6c 2","188","","","Benitoite","- Ba O9 Si3 Ti -","- Ba O9 Si3 Ti -","- Ba2 O18 Si6 Ti2 -","2","0.166667","","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","2012","97","","1749","1763","10.2138/am.2012.4175","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""