# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T05:01:19+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3 c 1' 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
"1520881","9.4","","9.4","","20.2","","90","","90","","120","","1545.74","","","","","","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","Sr5 Co4 O12","","- Co4 O12 Sr5 -","- Co4 O12 Sr5 -","- Co24 O72 Sr30 -","6","1","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.","The An+2 Bn B' O3n+3 family (B = B' = Co): ordered intergrowth between 2h-(Ba Co O3) and Ca3 Co2 O6 structures","Journal of Solid State Chemistry","1999","145","","116","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","140444","2020-10-21","18:00:00",""
"1529476","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","4","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C396 H324 Br36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1237","0.1187","","0.2646","0.2614","0.264","","","","","","0.9439","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529477","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","5","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C54 H90 Br2 N2 O4 -","- C54 H90 Br2 N2 O4 -","- C972 H1620 Br36 N36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1872","0.1799","","0.3454","0.3418","0.3446","","","","","","0.9874","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1550828","16.9954","0.0012","16.9954","0.0012","12.3838","0.001","90","","90","","120","","3097.8","0.4","293","2","297","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polzmorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0393","0.0295","","","0.0744","0.0787","","","","","","1.033","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1550829","17.0033","0.0011","17.0033","0.0011","12.416","0.0008","90","","90","","120","","3108.7","0.3","100","","100","","","","101325","","","","synthetic","6","P 3 c 1","P 3 -2""c","158","Stepanovite, hexagonal polymorph","sodium magnesium iron(III) oxalate nonahydrate","","- C6 H18 Fe Mg Na O21 -","- C6 H18 Fe Mg Na O21 -","- C36 H108 Fe6 Mg6 Na6 O126 -","6","1","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0409","0.0351","","","0.0851","0.0879","","","","","","1.099","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1551333","15.8532","0.0007","15.8532","0.0007","33.088","0.002","90","","90","","120","","7201.7","0.6","100","","100","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C108 H252 N24 O45 -","- C108 H162 N24 O45 -","- C216 H324 N48 O90 -","2","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1342","0.1156","","","0.3141","0.3388","","","","","","1.426","","","","has coordinates,has disorder","288467","2023-12-21","09:11:23",""
"1566542","32.5182","0.0019","32.5182","0.0019","51.424","0.004","90","","90","","120","","47092","5","100","0.1","100","0.1","","","","","","","","4","P 3 c 1","P 3 -2""c","158","CPOC-302-Pro","","","- C492 H528 N48 O60 -","- C432 H384 N24 O48 -","- C864 H768 N48 O96 -","2","0.333333","","Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang","Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis","Chemical Science","2022","","","","","10.1039/D2SC00395C","","","1.54184","CuKα","","0.4055","0.122","","","0.2206","0.3757","","","","","","0.793","","","","has coordinates","273290","2022-03-03","23:17:25",""
"1571165","16.0425","0.0001","16.0425","0.0001","7.9666","0.0007","90","","90","","120","","1775.61","0.16","299","2","299","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","dabco hydronium tri-bromide","(1,4-diazabicyclo[2.2.2]octane) hydronium tri-bromide","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","1.54184","CuKα","","0.0319","0.0287","","","0.0782","0.0814","","","","","","1.053","","","","has coordinates,has disorder","290375","2024-03-07","03:07:15",""
"1572294","9.3792","0.0003","9.3792","0.0003","15.6549","0.0006","90","","90","","120","","1192.65","0.07","180","2","180","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C42 H48 N2 O12 P6 -","2","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0425","0.0317","","","0.0711","0.0742","","","","","","1.036","","","","has coordinates","293967","2024-08-06","01:50:23",""
"2002396","5.2617","0.0007","5.2617","0.0007","14.3422","0.0043","90","","90","","120","","343.9","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Dimanganese dizinc tri-$-mue-oxo-hexaoxodiniobate","","- Mn2 Nb2 O9 Zn2 -","- Mn2 Nb2 O9 Zn2 -","- Mn4 Nb4 O18 Zn4 -","2","0.333333","","Rohweder, U; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Mn4 Nb2 O9 und Mn2 Zn2 Nb2 O9","Journal of the Less-Common Metals","1988","138","","79","86","10.1016/0022-5088(88)90237-8","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002401","5.291","","5.291","","14.342","","90","","90","","120","","347.7","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Trimanganese zinc tri-$-mue-oxo-hexaoxodiniobate","","- Mn3 Nb2 O9 Zn -","- Mn3 Nb2 O9 Zn -","- Mn6 Nb4 O18 Zn2 -","2","0.333333","","Rohweder, U; Mueller-Buschbaum, Hk","Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8","Journal of the Less-Common Metals","1988","142","","75","83","10.1016/0022-5088(88)90164-6","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2020844","15.8635","0.0002","15.8635","0.0002","8.9754","0.0001","90","","90","","120","","1956.06","0.04","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C12 H11 Cl N3 O P -","- C12 H11 Cl N3 O P -","- C72 H66 Cl6 N18 O6 P6 -","6","1","LY3049","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.","A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds","Acta Crystallographica Section C","2017","73","7","508","516","10.1107/S205322961700794X","","","0.71073","MoKα","","0.0421","0.0407","","","","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","301801","2025-08-19","09:44:27",""
"2103727","18.704","0.003","18.704","0.003","22.675","0.004","90","","90","","120","","6870","2","299","1","299","1","","","","","","","","2","P 3 c 1","P 3 -2""c","158","","perchlorophenalenyl radical","","- C13 Cl9 -","- C13.0038 Cl9.0026 -","- C234.068 Cl162.047 -","18","3","BS0014","Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P.","Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit","Acta Crystallographica Section B","2001","57","5","680","691","10.1107/S0108768101011193","","","0.71073","MoKα","","0.16","0.094","","","","0.174","","","","","","2.15","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106492","6.804","","6.804","","25.6","","90","","90","","120","","1026.36","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Li Ga O2 (H2 O)8","","- Ga H16 Li O10 -","- Ga Li O10 -","- Ga4 Li4 O40 -","4","0.666667","","Caranoni, C.; Capella, L.; Haser, R.; Pepe, G.","Structure du Metagallate de Lithium Octahydrate, Li Ga O2 (H2 O)8","Acta Crystallographica B (24,1968-38,1982)","1981","37","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106849","9.9056","","9.9056","","13.282","","90","","90","","120","","1128.64","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Na3 Li4 Th6 F31","","- F31 Li4 Na3 Th6 -","- F31 Li4 Na3 Th6 -","- F62 Li8 Na6 Th12 -","2","0.333333","","Brunton, G.; Sears, D.R.","The Neutron and X-ray Crystal Structure of (Na Li)7 Th6 F31 with More Than One Least-Squares Minimum","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2519","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","160915","2020-10-21","18:00:00",""
"2208167","9.023","0.005","9.023","0.005","14.203","0.005","90","0.005","90","0.005","120","0.005","1001.4","0.9","150","2","150","2","","","","","","","","6","P 3 c 1","P 3 -2 "" c","","","Tris(ethylenediamine)nickel(II) tetraiodocadmate(II)","","- C6 H24 Cd I4 N6 Ni -","- C6 H24 Cd I4 N6 Ni -","- C12 H48 Cd2 I8 N12 Ni2 -","2","0.333333","SJ6176","Sohail, Manzar; Molloy, Kieran C.; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem","Tris(ethylenediamine)nickel(II) tetraiodocadmate(II)","Acta Crystallographica Section E","2006","62","2","m394","m396","10.1107/S1600536806002522","","","0.71073","MoKα","","","0.0176","","","","0.0391","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2239242","22.006","0.002","22.006","0.002","23.276","0.002","90","","90","","120","","9761.6","1.5","110","2","110","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","Tetra-μ~3~-iodido-tetrakis[(tri-<i>n</i>-butylphosphane-κ<i>P</i>)copper(I)]","","- C48 H108 Cu4 I4 P4 -","- C48 H108 Cu4 I4 P4 -","- C288 H648 Cu24 I24 P24 -","6","1","HP2064","Klenk, Simon; Frey, Wolfgang; Bubrin, Martina; Laschat, Sabine","Tetra-μ~3~-iodido-tetrakis[(tri-<i>n</i>-butylphosphane-κ<i>P</i>)copper(I)]","Acta Crystallographica Section E","2014","70","4","m117","m118","10.1107/S1600536814003390","","","0.71073","MoKα","","0.0755","0.0459","","","0.0887","0.0986","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"4003476","13.0283","0.00025","13.0283","0.00025","8.7499","0.00016","90","","90","","120","","1286.2","0.04","298","","298","","","","100","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 F9 Fe O6 -","- C6 F9 Fe O6 -","- C24 F36 Fe4 O24 -","4","0.666667","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02483","","0.18385","","2.117","","","","","","","has coordinates","248087","2020-10-21","18:00:00",""
"4066761","22.8523","0.0011","22.8523","0.0011","18.2102","0.0007","90","","90","","120","","8235.8","0.6","153","2","153","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C186 H206 B3 F8 N6 V3 -","- C185.88 H205.74 B3 F7.98 N6 V3 -","- C371.76 H411.48 B6 F15.96 N12 V6 -","2","0.333333","","Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives†","Organometallics","2010","29","22","5859","","10.1021/om100612e","","","0.71073","MoKα","","0.0864","0.0608","","","0.1606","0.1687","","","","","","0.88","","","","has coordinates,has disorder","178559","2020-10-21","18:00:00",""
"4080222","20.3827","0.0006","20.3827","0.0006","24.4901","0.001","90","","90","","120","","8811.4","0.5","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C72 H69 Nd O9 -","- C72 H69 Nd O9 -","- C432 H414 Nd6 O54 -","6","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0761","0.0359","","","0.0682","0.0769","","","","","","0.948","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4100413","15.8453","0.0007","15.8453","0.0007","33.121","0.003","90","","90","","120","","7201.6","0.7","293","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C36 H52 N8 O15 -","- C36 H52 N8 O15 -","- C216 H312 N48 O90 -","6","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101641","18.2757","0.0006","18.2757","0.0006","18.1771","0.0006","90","","90","","120","","5257.8","0.3","120","","120","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C27 H63 Co N5 P3 Zr -","- C27 H63 Co N5 P3 Zr -","- C162 H378 Co6 N30 P18 Zr6 -","6","1","","Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M.","Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co.","Journal of the American Chemical Society","2010","132","1","44","45","10.1021/ja909310t","","","0.71073","MoKα","","0.0771","0.0402","","0.0915","0.0829","0.0915","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4128361","31.791","0.005","31.791","0.005","45.798","0.009","90","","90","","120","","40085","12","173","2","173","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C194 H148 N10 O20 -","- C194 H148 N10 O20 -","- C1164 H888 N60 O120 -","6","1","","Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui","Corannurylene Pentapetalae.","Journal of the American Chemical Society","2019","141","13","5402","5408","10.1021/jacs.9b00053","","","0.71073","MoKα","","0.3206","0.2756","","","0.5701","0.6104","","","","","","1.519","","","","has coordinates","221484","2020-10-21","18:00:00",""
"4129413","16.4389","0.0006","16.4389","0.0006","16.3399","0.0008","90","","90","","120","","3824.1","0.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C19 H45 Cl2 Eu N8 O -","- C19 H39 Cl2 Eu N8 O -","- C114 H234 Cl12 Eu6 N48 O6 -","6","1","","Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J.","Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.","Journal of the American Chemical Society","2015","137","15","4960","4963","10.1021/jacs.5b02506","","","0.71073","MoKα","","0.065","0.0543","","","0.1515","0.1601","","","","","","1.244","","","","has coordinates","240128","2020-10-21","18:00:00",""
"4311307","10.939","0.005","10.939","0.005","19.558","0.008","90","","90","","120","","2026.8","1.6","293","2","293","2","","","","","","","chemical synthesis","5","P 3 c 1","P 3 -2""c","158","","[Fe(II)-2im],H2O","","- C18 H24 Fe N10 O -","- C18 H24 Fe N10 O -","- C72 H96 Fe4 N40 O4 -","4","0.666667","","François Lambert; Clotilde Policar; Stephanie Durot; Michèle Cesario; Lu Yuwei; Hafsa Korri-Youssoufi; Bineta Keita; Louis Nadjo","Imidazole and Imidazolate Iron Complexes: On the Way for Tuning 3D-Structural Characteristics and Reactivity. Redox Interconversions Controlled by Protonation State","Inorganic Chemistry","2004","43","","4178","4188","10.1021/ic0498687","","","0.71073","MoKα","","0.1006","0.0371","","0.137","0.0953","","","","0.851","0.842","0.842","","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4332602","13.749","0.002","13.749","0.002","16.889","0.003","90","","90","","120","","2764.9","0.8","200","","200","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","[Cd3(L)3(CO3)](ClO4)4-2(CH3CN)","","- C32 H63 Cd3 Cl4 N17 O19 -","- C32 H62.94 Cd3 Cl4 N17 O19 -","- C64 H125.88 Cd6 Cl8 N34 O38 -","2","0.333333","","Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling","Inorganic Chemistry","2006","45","20","8098","8107","10.1021/ic0605524","","","0.71075","MoKα","","0.0495","0.043","","","0.1006","0.1044","","","","","","1.063","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4334489","18.955","0.0007","18.955","0.0007","16.9765","0.0006","90","","90","","120","","5282.3","0.3","110","","110","","","","","","","","","7","P 3 c 1","P 3 -2""c","158","","","","- C32 H39 Cl F6 N3 P3 Ru -","- C32 H39 Cl F6 N3 P3 Ru -","- C192 H234 Cl6 F36 N18 P18 Ru6 -","6","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0486","0.0417","","","0.0987","0.104","","","","","","1.044","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4336969","20.012","0.0017","20.012","0.0017","25.273","0.003","90","","90","","120","","8765.3","1.5","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C40 H56 Ag3 N16 O2.67 S0.67 -","- C40 H56 Ag3 N16 O2.66667 S0.666667 -","- C240 H336 Ag18 N96 O16 S4 -","6","1","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.1139","0.0704","","","0.1576","0.18","","","","","","1.007","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4343814","14.625","","14.625","","14.658","","90","","90","","120","","2715.17","","","","","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","Cu (S C (N H (C H3))2)3 Cl","","- C9 H24 Cl Cu N6 S3 -","- C9 H24 Cl Cu N6 S3 -","- C54 H144 Cl6 Cu6 N36 S18 -","6","1","","Bowmaker, G.A.; Hanna, J.V.; Pakawatchai, C.; Thanyasirikul, Y.; Skelton, B.W.; White, A.H.","Crystal structures and vibrational spectroscopy of copper(I) thiourea complexes","Inorganic Chemistry","2009","48","","350","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4500891","15.6033","0.0002","15.6033","0.0002","8.8392","0.0001","90","","90","","120","","1863.7","0.04","298","2","293","2","","","","","","","see text","4","P 3 c 1","P 3 -2""c","158","","","","- Cd12.01 Na11.99 O90 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","1","0.166667","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.0231","0.0213","","","0.053","0.0536","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4503147","19.3236","0.0004","19.3236","","14.625","0.0002","90","","90","","120","","4729.36","0.12","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 F O5 -","- C41 H35 F O5 -","- C246 H210 F6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0989","0.0922","","","0.2276","0.234","","","","","","1.002","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503148","19.5","0.001","19.5","","14.5746","0.0004","90","","90","","120","","4799.5","0.3","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 Cl O5 -","- C41 H35 Cl O5 -","- C246 H210 Cl6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0702","0.0455","","","0.1007","0.1168","","","","","","1.004","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503149","19.552","0.001","19.552","","14.587","0.0003","90","","90","","120","","4829.2","0.3","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 Br O5 -","- C41 H35 Br O5 -","- C246 H210 Br6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0771","0.0557","","","0.1374","0.1566","","","","","","1.003","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4510810","17.687","0.003","17.687","0.003","10.556","0.002","90","","90","","120","","2859.8","0.9","173","2","173","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","","","- C60 H66 O9 -","- C60 H66 O9 -","- C120 H132 O18 -","2","0.333333","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.0725","0.0716","","","0.1854","0.1861","","","","","","1.157","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"6000391","16.872","","16.872","","5.2256","","90","","90","","120","","1288.25","","","","","","","","","","","","","8","P 3 c 1","","","","","","- Al5.5 Ca2 Fe2 H28.6 Mg3 Na2 O59.3 Si13.5 -","","","","","","Rius, J.; Plana, F.; Queralt, I.; Louer, D.","Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data","Anales de Quimica International Edition","1998","94","","101","106","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000721","16.872","","16.872","","5.2256","","90","","90","","120","","1288.25","","","","","","","","","","","","","8","P 3 c 1","","","","","","- Al5.5 Ca2 Fe2 H26.6 Mg3 Na2 O59.3 Si13.5 -","","","","","","Rius, J.; Plana, F.; Queralt, I.; Louer, D.","Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data","Anales de Quimica International Edition","1998","94","","101","106","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7004092","16.7348","0.0004","16.7348","0.0004","12.6333","0.0003","90","","90","","120","","3064","0.13","200","","","","","","","","","","Local laboratory","6","P 3 c 1","P 3 -2""c","158","","Sodium magnesium aluminium tri oxalato nonahydrate","","- C6 H18 Al Mg Na O21 -","- C6 H18 Al Mg Na O21 -","- C36 H108 Al6 Mg6 Na6 O126 -","6","1","","Riesen, Hans; Rae, A. David","Revisiting the crystal structure and thermal properties of NaMgAl(oxalate)~3~·9H~2~O/Cr(iii): an extraordinary spectral hole-burning material","Dalton Transactions","2008","","35","4717","4722","10.1039/b802559b","","","0.71073","MoKα","","0.043","0.038","","0.066","0.064","0.064","","","","","","1.68","","","","has coordinates","134294","2020-10-21","18:00:00",""
"7005815","14.0028","0.001","14.0028","0.001","24.578","0.002","90","","90","","120","","4173.6","0.5","200","2","200","2","","","","","","","synthesis as described","5","P 3 c 1","P 3 -2""c","158","","","","- C6.333333 H18.5 I2 N3.166667 P -","- C6.33333 H18.5 I2 N3.16667 P -","- C76 H222 I24 N38 P12 -","12","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M.","Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN).","Dalton transactions (Cambridge, England : 2003)","2007","","30","3252","3258","10.1039/b705651f","","x-ray","0.71073","MoKα","","0.0652","0.0552","","","0.1199","0.128","","","","","","1.178","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7025849","24.9188","0.0002","24.9188","0.0002","16.7294","0.0003","90","","90","","120","","8996.33","0.19","123","2","123","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C56 H91 Er O6.5 -","- C56 H91 Er O6.5 -","- C336 H546 Er6 O39 -","6","1","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.","Low-coordinate rare-earth complexes of the asymmetric 2,4-di-tert-butylphenolate ligand prepared by redox transmetallation/protolysis reactions, and their reactivity towards ring-opening polymerisation.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6693","6704","10.1039/c0dt00023j","","","0.71073","MoKα","","0.076","0.0703","","","0.1387","0.1416","","","","","","1.187","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029204","10.3032","0.0003","10.3032","0.0003","17.0022","0.0005","90","","90","","120","","1563.08","0.08","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C27 H27 F12 N9 P2 Ru -","- C27 H27 F12 N9 P2 Ru -","- C54 H54 F24 N18 P4 Ru2 -","2","0.333333","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0482","0.0464","","","0.1227","0.1263","","","","","","1.051","","","","has coordinates","301848","2025-08-21","12:23:50",""
"7031693","24.0122","0.0006","24.0122","0.0006","7.8167","0.0002","90","","90","","120","","3903.17","0.17","100","","100","","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H15 Bi N12 S3 -","- C21 H15 Bi N12 S3 -","- C126 H90 Bi6 N72 S18 -","6","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","1.54178","CuKα","","0.0185","0.0176","","","0.0478","0.0484","","","","","","1.215","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7040275","34.348","0.0005","34.348","0.0005","7.275","0.0001","90","","90","","120","","7433.04","0.18","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C13 H17 Cl O3 Pt S3 -","- C13 H17 Cl O3 Pt S3 -","- C234 H306 Cl18 O54 Pt18 S54 -","18","3","","Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang","Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18876","18891","10.1039/c6dt01388k","","","0.71073","MoKα","","0.0714","0.0548","","","0.1284","0.1397","","","","","","1.064","","","","has coordinates","190201","2020-10-21","18:00:00",""
"7051376","10.993","0.001","10.993","0.001","21.554","0.002","90","","90","","120","","2255.8","0.4","298.2","","298.2","","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C35 H45 N8 Nd O18 -","- C35 H42 N8 Nd O18 -","- C70 H84 N16 Nd2 O36 -","2","0.333333","","Po-Wan Lai, Winnie; Wong, Wing-Tak","Trinitrato[N,N',N″-tris(2,3-dimethoxybenzamido)triethylamine]- neodymium(III). Synthesis, crystal structure and luminescence of a Nd complex containing tripodal amide ligands","New Journal of Chemistry","2000","24","12","943","","10.1039/b006976k","","","0.7107","MoKalpha","","","0.0422","","","0.0435","","","","","1.242","1.242","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052196","8.25","0.001","8.25","0.001","7.15","0.001","90","","90","","120","","421.45","0.09","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 H11 N3 O3 -","- C6 H11.02 N3.01 O3 -","- C12 H22.04 N6.02 O6 -","2","0.333333","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","0.71073","MoKα","","0.0503","0.0355","","","0.0926","0.1007","","","","","","1.103","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7101537","18.1","0.003","18.1","0.003","25.705","0.005","90","","90","","120","","7293","2","173","2","173","2","","","","","","","","7","P 3 c 1","P 3 -2""c","158","","","","- C108 H108 F18 N12 O30 Ru6 S6 -","- C108 H108 F18 N12 O30 Ru6 S6 -","- C216 H216 F36 N24 O60 Ru12 S12 -","2","0.333333","","P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien","Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality","Chemical Communications","2006","","45","","","10.1039/b610155k","","","0.71073","MoKα","","0.121","0.0647","","","0.1505","0.1713","","","","","","0.831","","","","has coordinates","201926","2020-10-21","18:00:00",""
"7108032","12.708","0.005","12.708","0.005","13.72","0.005","90","0.005","90","0.005","120","0.005","1918.8","1.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C5 H5 Al B Cl6 N -","- C5 H5 Al B Cl6 N -","- C30 H30 Al6 B6 Cl36 N6 -","6","1","","Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson","Tricationic analogues of boroxines and polyborate anions","Chem.Commun.","2012","48","","7589","","10.1039/c2cc32605a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0683","0.0718","","","","","","0.971","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7212146","8.6708","0.0017","8.6708","0.0029","11.4236","0.001","90","","90","","120","","743.8","0.3","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C7 H21 Gd O13 -","- C7 H7 Gd O13 -","- C14 H14 Gd2 O26 -","2","0.333333","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","MoKα","","0.0291","0.0203","","","0.0413","0.044","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213161","8.5328","0.0012","8.5328","0.0012","33.241","0.007","90","","90","","120","","2096","0.6","120","2","120","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C15 H39 Br N4 O4 -","- C15 H39.01 Br N4 O4 -","- C60 H156.04 Br4 N16 O16 -","4","0.666667","","Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Søtofte, Inger","Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane","Journal of the Chemical Society, Perkin Transactions 2","1999","","12","2701","","10.1039/a906244k","","","0.71073","MoKα","","0.1178","0.0695","","0.1622","0.1333","","","","1.096","1.153","1.153","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7215282","19.9588","0.0008","19.9588","0.0008","7.6768","0.0004","90","","90","","120","","2648.4","0.2","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","JA81","","","- C2 H5 Br Cu N S -","- C2 H5 Br Cu N S -","- C36 H90 Br18 Cu18 N18 S18 -","18","3","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0412","0.0295","","","0.0842","0.1004","","","","","","1.003","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7712173","13.0524","0.0001","13.0524","0.0001","24.5902","0.0002","90","","90","","120","","3628.05","0.05","100","0.1","100.15","","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C82 H66 Cu N5 O16 Ti4 -","- C82 H65.9994 Cu N5 O16 Ti4 -","- C164 H131.999 Cu2 N10 O32 Ti8 -","2","0.333333","","Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei","Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","1857","1860","10.1039/d2dt03756d","","","1.3405","GaKα","","0.0265","0.0262","","","0.0635","0.0636","","","","","","1.097","","","","has coordinates,has disorder","283322","2023-05-05","02:24:33",""
"7716756","18.6951","0.0016","18.6951","0.0016","9.6219","0.0007","90","","90","","120","","2912.4","0.4","293","2","293","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C5 H18 N16 Ni O11 -","- C5 H18 N16 Ni O11 -","- C30 H108 N96 Ni6 O66 -","6","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.1098","0.0805","","","0.203","0.2298","","","","","","1.083","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716757","18.751","0.0006","18.751","0.0006","9.6642","0.0004","90","","90","","120","","2942.7","0.18","119","2","119","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C5 H18 Co N16 O11 -","- C5 H18 Co N16 O11 -","- C30 H108 Co6 N96 O66 -","6","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0718","0.0612","","","0.1599","0.1708","","","","","","1.074","","","","has coordinates","294556","2024-09-06","00:44:09",""
"9000723","9.151","","9.151","","16.862","","90","","90","","120","","1222.86","","","","","","","","","","","","","5","P 3 c 1","P 3 -2""c","158","Ferric acid phosphate","","","- Fe3 H21 N O30 P6 -","- Fe3 H21 N O30 P6 -","- Fe6 H42 N2 O60 P12 -","2","0.333333","","Moore, P. B.; Araki, T.","Crystal structure of synthetic (NH4)H8Fe3(PO4)6(H2O)6","American Mineralogist","1979","64","","587","592","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:16",""
"9005637","16.882","","16.882","","5.2251","","90","","90","","120","","1289.65","","","","","","","","","","","","Camporrells-Estopanya area, Huesca, Spain","9","P 3 c 1","P 3 -2""c","158","","","Aerinite","- C0.59 H18 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O31.77 Si6 -","- C0.59 H21 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O33.27 Si6 -","- C1.18 H42 Al6.1 Ca5.04 Fe2.72 Mg Na0.48 O66.54 Si12 -","2","0.333333","","Rius, J.; Elkaim, E.; Torrelles, X.","Structure determination of the blue mineral pigment aerinite from synchrotron powder diffraction data: The solution of an old riddle","European Journal of Mineralogy","2004","16","","127","134","10.1127/0935-1221/2004/0016-0127","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009261","4.431","","4.431","","10.663","","90","","90","","120","","181.307","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","Berborite","- B Be2 H3 O5 -","- B Be2 H3 O5 -","- B2 Be4 H6 O10 -","2","0.333333","","Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G.","Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 2T polytype Note: anisoU's from ICSD","Neues Jahrbuch fur Mineralogie, Abhandlungen","1990","162","","101","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9013827","16.91611","","16.91611","","5.22886","","90","","90","","120","","1295.8","","","","","","","","","","","","Tartareu, Catalunya, Spain","6","P 3 c 1","P 3 -2""c","158","","","Aerinite","- C0.72 Al3 Ca2.19 Fe1.803 O31.5 Si6 -","- Al3 Ca2.9103 Fe1.8028 O32.439 Si6 -","- Al6 Ca5.8206 Fe3.6056 O64.878 Si12 -","2","0.333333","","Rius, J.; Crespi, A.; Roig, A.; Melgarejo, J. C.","Crystal structure refinement of Fe3±rich aerinite from synchrotron powder diffraction and Mossbauer data","European Journal of Mineralogy","2009","21","","233","240","10.1127/0935-1221/2009/0021-1895","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:16",""