# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:47:37+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3 m' 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
"1543136","7.8372","0.0002","7.8372","0.0002","20.9938","0.0007","90","","90","","120","","1116.72","0.05","297.8","0.2","297.8","0.2","","","","","","","","5","R -3 m","-R 3 2""","166","","Methylammonium potassium bismuth chloride double perovskite","","- C2 Bi Cl6 K N2 -","- C2 Bi Cl6 K N2 -","- C6 Bi3 Cl18 K3 N6 -","3","","","Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.","The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)","Mater. Horiz.","2016","3","4","328","","10.1039/C6MH00053C","","x-ray","0.71073","MoKα","","0.0226","0.0226","","","0.054","0.054","","","","","","1.144","","","","has coordinates","185680","2020-10-21","18:00:00",""
"1544390","5.7841","0.0007","5.7841","0.0007","57.074","0.011","90","","90","","120","","1653.6","0.4","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","Ba8V7O22","","","- Ba8 O22 V7 -","- Ba8 O22 V7 -","- Ba24 O66 V21 -","3","","","Liu, G.; Greedan, J.E.","The synthesis, structure, and characterization of a novel 24-layer oxide: Ba8V7O22 with V(III), V(IV), and V(V)","Journal of Solid State Chemistry","1994","108","","371","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","187653","2020-10-21","18:00:00",""
"1544392","2.97065","0.00008","2.97065","0.00008","13.9033","0.00004","90","","90","","120","","106.256","0.004","","","","","","","","","","","","4","R -3 m","-R 3 2""","166","Mg2.45Si1.19O6D2.32","","phase E","- D2.32 Mg2.45 O6 Si1.19 -","- D2.322 Mg2.4531 O6 Si1.194 -","- D2.322 Mg2.4531 O6 Si1.194 -","1","","","Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.","Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study","Physics and Chemistry of Minerals","2016","43","","267","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","187655","2020-10-21","18:00:00",""
"1544393","2.97065","0.00008","2.97065","0.00008","13.9033","0.00004","90","","90","","120","","106.256","0.004","","","","","","","","","","","","4","R -3 m","-R 3 2""","166","Mg2.28Si1.31O6D2.22","","phase E","- D2.22 Mg2.28 O6 Si1.31 -","- D2.2176 Mg2.214 O6 Si1.3068 -","- D2.2176 Mg2.214 O6 Si1.3068 -","1","","","Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.","Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model","Physics and Chemistry of Minerals","2016","43","","267","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","187656","2020-10-21","18:00:00",""
"1544456","3.372","0.001","3.372","0.001","18.214","0.004","90","","90","","120","","179.35","0.08","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","AgYbO2","","","- Ag O2 Yb -","- Ag O2 Yb -","- Ag3 O6 Yb3 -","3","","","Saito, A.; Sawaguchi, N.; Sasaki, M.","Synthesis and crystal structure of AgYbO2","Journal of the Ceramic Society of Japan","2008","116","","118","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","187773","2020-10-21","18:00:00",""
"1544466","3.05991","0.00004","3.05991","0.00004","71.454","0.001","90","","90","","120","","579.395","0.013","","","","","","","","","","","","4","R -3 m","-P 6c 2c","194","Si1.1Al7.9O1.9N8.1 27R-SiAlON","","","- Al7.9 N8.1 O1.9 Si1.1 -","- Al5.26933 N5.4 O1.26667 Si0.732 -","- Al15.808 N16.2 O3.8 Si2.196 -","3","","","Banno, H.; Asaka, T.; Fukuda, K.","Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9)","Journal of the Ceramic Society of Japan","2014","122","","281","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","187811","2020-10-21","18:00:00",""
"1544498","3.32214","0.00003","3.32214","0.00003","57.8236","0.0005","90","","90","","120","","552.677","0.009","","","","","","","","","","","","4","R -3 m","-R 3 2""","166","(ZrC)[Al0.94Si0.06]8C6","","","- C7 Al7.52 Si0.48 Zr -","- C7 Al7.52 Si0.48 Zr -","- C21 Al22.56 Si1.44 Zr3 -","3","","","Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K.","Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4","Journal of the Ceramic Society of Japan","2009","117","","37","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","187861","2020-10-21","18:00:00",""
"1544726","5.6038","0.0007","5.6038","0.0007","21","0.005","90","","90","","120","","571.1","0.17","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","Ba3(PO4)2","","Ba3(PO4)2","- Ba3 O8 P2 -","- Ba3 O8 P2 -","- Ba9 O24 P6 -","3","","","Sugiyama, K.; Tokonami, M.","The crystal structure refinements of the strontium and barium orthophosphates","Mineralogical Journal","1990","15","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","188886","2020-10-21","18:00:00",""
"1544727","5.3901","0.0008","5.3901","0.0008","19.785","0.005","90","","90","","120","","497.81","0.16","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","Sr3(PO4)2","","Sr3(PO4)2","- O8 P2 Sr3 -","- O8 P2 Sr3 -","- O24 P6 Sr9 -","3","","","Sugiyama, K.; Tokonami, M.","The crystal structure refinements of the strontium and barium orthophosphates","Mineralogical Journal","1990","15","","141","146","10.2465/minerj.15.141","","","","","","","","","","","","","","","","","","","","","has coordinates","188889","2020-10-21","18:00:00",""
"1546733","2.97545","","2.97545","","26.88393","","90","","90","","120","","206.124","","","","","","","","","","","","","2","R -3 m","-R 3 2""","166","","Silver aluminum (0.5/0.5)","","- Ag Al -","- Ag0.5 Al0.5 -","- Ag6 Al6 -","12","","","Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V.","The bi-layered precipitate phase ζ in the Al-Ag alloy system","Acta Materialia","2017","132","","525","","10.1016/j.actamat.2017.04.061","","","","","","","","","","","","","","","","","","","","","has coordinates","199331","2020-10-21","18:00:00",""
"1550380","25.8366","0.0016","25.8366","0.0016","13.6675","0.0009","90","","90","","120","","7901.2","0.9","297","2","296.96","","","","","","","","No","4","R -3 m","-R 3 2""","166","Ti3-BPDC","Ti3-BPDC","","- C42 H30 O14 Ti3 -","- C42 H25 O14 Ti3 -","- C126 H75 O42 Ti9 -","3","","","Feng, Xuanyu; Song, Yang; Chen, Justin S.; Li, Zhe; Chen, Emily Y.; Kaufmann, Michael; Wang, Cheng; Lin, Wenbin","Cobalt-Bridged Secondary Building Units in a Titanium Metal-Organic Framework Catalyze Cascade Reduction of N-Heteroarenes","Chemical Science","2019","","","","","10.1039/C8SC04610G","","","0.71073","MoKα","","0.1213","0.1129","","","0.343","0.3547","","","","","","1.607","","","","has coordinates","212667","2020-10-21","18:00:00",""
"1550666","18.6355","0.0007","18.6355","0.0007","34.4019","0.0012","90","","90","","120","","10346.5","0.7","173.01","0.1","173.01","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 Cu N O4 -","- C14 H9 Cu N O4 -","- C252 H162 Cu18 N18 O72 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0408","0.0381","","","0.1216","0.1244","","","","","","1.086","","","","has coordinates","213903","2020-10-21","18:00:00",""
"1550672","18.4038","0.0008","18.4038","0.0008","34.5026","0.0019","90","","90","","120","","10120.4","0.8","150","0.1","150","0.1","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C14 H9 N O4 Zn -","- C14 H9 N O4 Zn -","- C252 H162 N18 O72 Zn18 -","18","","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54184","CuKα","","0.0645","0.0602","","","0.1639","0.1673","","","","","","1.088","","","","has coordinates","213903","2020-10-21","18:00:00",""
"2000778","4.41","0.002","4.41","0.002","24.27","0.02","90","","90","","120","","408.8","0.4","","","","","","","","","","","","3","R -3 m","-R 3 2""","","","","","- Er K Te2 -","- Er K Te2 -","- Er3 K3 Te6 -","3","","ST0551","Keane, P. M.; Ibers, J. A.","Structure of KErTe~2~","Acta Crystallographica Section C","1992","48","7","1301","1303","10.1107/S0108270191014208","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001032","5.615","0.001","5.615","0.001","18.667","0.003","90","","90","","120","","509.69","0.15","","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- K2 Mn O6 Se2 -","- K2 Mn O6 Se2 -","- K6 Mn3 O18 Se6 -","3","","BX0571","Wildner, M.","Structure of K~2~Mn(SeO~3~)~2~, a further buetschliite-type selenite","Acta Crystallographica Section C","1992","48","3","595","","10.1107/S0108270191012350","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002091","31.902","0.004","31.902","0.004","11.111","0.002","90","","90","","120","","9793","2","300","2","","","","","","","","","","5","R -3 m","-R 3 2""","","","","","- C38 H56 Cu2 N2 O8 -","- C32 Cu2 N2 O8 -","- C288 Cu18 N18 O72 -","9","","AS1018","Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.","Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline","Acta Crystallographica Section C","1993","49","1","144","147","10.1107/S0108270192009107","","","0.71073","MoKα","","","0.072","","","0.094","","","","","3.51","3.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009516","3.4185","0.0001","3.4185","0.0001","25.463","0.003","90","","90","","120","","257.7","0.03","295","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- Fe Lu O4 Zn -","- Fe Lu O4 Zn -","- Fe3 Lu3 O12 Zn3 -","3","","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009518","3.3291","0.0001","3.3291","0.0001","56.56","0.02","90","","90","","120","","542.87","0.19","295","","","","","","","","","","","4","R -3 m","-R 3 2""","","","","","- Fe Lu O8 Zn5 -","- Fe Lu O8 Zn5 -","- Fe3 Lu3 O24 Zn15 -","3","","AS1025","Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.","Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)","Acta Crystallographica Section C","1994","50","3","332","336","10.1107/S0108270193008108","","","0.71073","MoKα","","","0.046","","","0.053","","","","","4.2","4.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017179","5.4489","0.0001","5.4489","0.0001","35.4321","0.0009","90","","90","","120","","911.06","0.03","293","2","","","","","","","","","","5","R -3 m","-R 3 2""","166","","Dipotassium trimanganese(II) tetrakis(hydrogen phosphite)","","- H4 K2 Mn3 O12 P4 -","- H4 K2 Mn3 O12 P4 -","- H12 K6 Mn9 O36 P12 -","3","","FN3017","Hamchaoui, Farida; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric","Dipotassium trimanganese(II) tetrakis(hydrogenphosphite), K~2~[Mn~3~(HPO~3~)~4~]","Acta Crystallographica Section C","2009","65","7","i33","i35","10.1107/S010827010901957X","","","0.71073","MoKα","","","0.0232","","","","0.0625","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2101456","10.68535","0.00007","10.68535","0.00007","10.68535","0.00007","89.7364","0.0009","89.7364","0.0009","89.7364","0.0009","1219.98","0.014","","","","","","","","","","","","2","R -3 m","-P 3* 2","","","","","- Pu0.6 U0.4 -","- Pu -","- Pu58 -","58","","VS0125","Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.","Structure of ζ-phase plutonium‒uranium","Acta Crystallographica Section B","1996","52","1","32","37","10.1107/S0108768195006811","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101457","15.0765","0.0001","15.0765","0.0001","18.5925","0.0003","90","","90","","120","","3659.9","0.07","","","","","","","","","","","","2","R -3 m","-R 3 2""","","","","","- Pu0.6 U0.4 -","- Pu3 -","- Pu174 -","58","","VS0125","Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.","Structure of ζ-phase plutonium‒uranium","Acta Crystallographica Section B","1996","52","1","32","37","10.1107/S0108768195006811","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103392","14.555","","14.555","","11.446","","90","","90","","120","","2099.95","","","","","","","","","","","","","3","R -3 m","","","","","","- C24 H54 N8 -","- C42 N8 -","- C126 N24 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103394","14.411","","14.411","","16.658","","90","","90","","120","","2996","","","","","","","","","","","","","5","R -3 m","","","","","","- C15 H9 O9 Os3 Rh -","- C15 H9 O9 Os3 Rh -","- C90 H54 O54 Os18 Rh6 -","6","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103406","11.308","","11.308","","52.56","","90","","90","","120","","5820.46","","","","","","","","","","","","","7","R -3 m","","","","","","- C26 H56 Au B Cl6 F4 P2 -","- C25 H55 Au0.5 B Cl6 F7 P -","- C150 H330 Au3 B6 Cl36 F42 P6 -","6","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"4001823","18.6953","0.0007","18.6953","0.0007","39.1379","0.0017","90","","90","","120","","11846.6","0.8","100","2","100.02","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C9 H10 B5 Cu O5 -","- C9 H10 B5 Cu O5 -","- C162 H180 B90 Cu18 O90 -","18","","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","1.54178","CuKα","","0.1267","0.1173","","","0.3735","0.3904","","","","","","1.764","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4121692","18.6895","0.0005","18.6895","0.0005","37.6886","0.0009","90","","90","","120","","11400.8","0.5","100","0.19","100","0.19","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C20 H8 Cu2 N2 O11 -","- C20 H8 Cu2 N2 O11 -","- C180 H72 Cu18 N18 O99 -","9","","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.","Journal of the American Chemical Society","2014","136","17","6207","6210","10.1021/ja501810r","","","0.71073","MoKα","","0.0896","0.0808","","","0.2558","0.2627","","","","","","1.108","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4344913","2.868","0.005","2.868","0.005","15.88","0.01","90","","90","","120","","113.1","0.3","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","NaAlO2 high-pressure form","","","- Al Na O2 -","- Al Na O2 -","- Al3 Na3 O6 -","3","","","Reid, A.F.; Ringwood, A.E.","High-pressure NaAlO2, and alpha-NaFeO2 isotype","Inorganic Chemistry","1968","7","","443","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","187611","2020-10-21","18:00:00",""
"4514295","38.586","0.006","38.586","0.006","29.661","0.006","90","","90","","120","","38245","11","100","2","100","2","","","","","","","","6","R -3 m","-R 3 2""","166","","","","- C30 H30 Cd2 Cl9 N20 O11.17 -","- C30 H30 Cd2 Cl9 N20 O11.1667 -","- C540 H540 Cd36 Cl162 N360 O201 -","18","","","Yao, Yu-Qing; Zhang, Ying-Jie; Zhang, Yun-Qian; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Multiple Efficient Fluorescence Emission from Cucurbit[10]uril-[Cd4Cl16]8‒Based Pillared Diamond Porous Supramolecular Frameworks.","ACS applied materials & interfaces","2017","9","46","40760","40765","10.1021/acsami.7b15673","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0532","0.0439","","","0.1374","0.1451","","","","","","1.031","","","","has coordinates","203975","2020-10-21","18:00:00",""
"5910049","3.77","","3.77","","3.77","","90.54","","90.54","","90.54","","53.575","","","","","","","","","","","","","2","R -3 m","","166","","","","- Cu Pt -","- Cu3 Pt9 -","- Cu3 Pt9 -","","","","Wyckoff, R. W. G.","Page 225 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://cst-www.nrl.navy.mil/lattice/","The second edition of Structure of Crystals","1931","","","225","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910127","6.13","","6.13","","6.13","","33.36","","33.36","","33.6","","62.291","","","","","","","","","","","","","2","R -3 m","","166","","Nickel chloride","","- Cl2 Ni -","- Cl36 Ni3 -","- Cl36 Ni3 -","","","","Wyckoff, R. W. G.","Pages 233 & 238 from the second edition of Structure of Crystals by Wyckoff R W G.published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","233","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910154","6.31","","6.31","","6.31","","34.48","","34.48","","34.48","","71.831","","","","","","","","","","","","","2","R -3 m","","166","","Zinc chloride","","- Cl2 Zn -","- Cl36 Zn3 -","- Cl36 Zn3 -","","","","Wyckoff, R. W. G.","Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931.","The second edition of Structure of Crystals","1931","","","233","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000111","5.7527","","5.7527","","21.0473","","90","","90","","120","","603.22","","","","","","","","","","","","","4","R -3 m","","","","","","- Ba2 La0.66 O8 V2 -","","","","","","Skakle, J. M. S.; Coats, A. M.; Marr, J.","The crystal structures of Ba2R2/3V2O8 (R = La, Nd) and Sr2La2/3V2O8; palmierite derivatives","Journal of Materials Science","2000","35","","3251","3256","10.1023/A:1004815120209","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000144","3.976","","3.976","","40.554","","90","","90","","120","","555.21","","","","","","","","","","","","","3","R -3 m","","","","","","- Cu5.59 Ho2 P4.5 -","","","","","","Mozharivskyj, Y.; Kuz'ma, Y. B.","Ternary phosphide Ho2Cu6-xP5-y, its crystal structure, and REm+n(Cu2P3)(m)(Cu4P2)(n) relationship with other rhombohedral rare-earth copper phosphides","Journal of Solid State Chemistry","2000","151","","150","156","10.1006/jssc.2000.8639","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000159","10.6233","","10.6233","","14.318","","90","","90","","120","","1399.37","","","","","","","","","","","","","3","R -3 m","","","","","","- B12 Re13 Tb8 -","","","","","","Mykhalenko, S. I.; Kuz'ma, Y. B.","The Tb-Re-B system: Phase equilibria and crystal structures","Polish Journal of Chemistry","2000","74","","163","171","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000241","3.3285","","3.3285","","58.127","","90","","90","","120","","557.71","","","","","","","","","","","","","3","R -3 m","","","","","","- In2 O8 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000242","3.3505","","3.3505","","57.863","","90","","90","","120","","562.54","","","","","","","","","","","","","4","R -3 m","","","","","","- In1.6 O8 Y0.4 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000359","17.0051","","17.0051","","6.8607","","90","","90","","90","","1983.93","","","","","","","","","","","","","3","R -3 m","","","","","","- La7 Mo7 O30 -","","","","","","Goutenoire, F.; Retoux, R.; Suard, E.; Lacorre, P.","Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000432","3.968","","3.968","","60.14","","90","","120","","90","","820.05","","","","","","","","","","","","","3","R -3 m","","","","","","- Cu7.65 P8 Y3 -","","","","","","Kuz'ma, Y. B.; Chykhrij, S. I.; Mozharivsky, Y. A.; Tremel, W.; Demchyna, R. O.","New ternary phosphides Ln(3-x)Cu(8-y)P(8) (Ln=Y, Gd, Tb, Dy, Ho, Er, Tm) and their crystal structure","Journal of Alloys and Compounds","1998","278","","169","174","10.1016/S0925-8388(98)00621-5","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000688","3.373","","3.373","","17.6756","","90","","90","","120","","174.16","","","","","","","","","","","","","3","R -3 m","","","","","","- N2 Sr Zr -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2","Inorganic Chemistry","1996","35","","7608","7613","10.1021/ic9607649","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000689","3.3448","","3.3448","","17.6779","","90","","90","","120","","171.28","","","","","","","","","","","","","3","R -3 m","","","","","","- Hf N2 Sr -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2","Inorganic Chemistry","1996","35","","7608","7613","10.1021/ic9607649","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000743","5.0279","","5.0279","","10.0559","","90","","90","","120","","220.15","","","","280","","","","","","","","","3","R -3 m","","","","","","- K N O2 -","","","","","","Onoda-Yamamuro, N.; Honda, H.; Ikeda, R.; Yamamuro, O.; Matsuo, T.; Oikawa, K.; Kamiyama, T.; Izumi, F.","Neutron powder diffraction study of the low-temperature phases of KNO2","Journal of Physics: Condensed Matter","1998","10","","3341","3351","10.1088/0953-8984/10/15/011","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000763","3.6287","","3.6287","","19.0921","","90","","90","","120","","217.72","","","","","","","","","","","","","2","R -3 m","","","","","","- Ca2 N -","","","","","","Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.","Dicalcium nitride, Ca2N - a 2D ""excess electron"" compound; synthetic routes and crystal chemistry","Journal of Materials Chemistry","2000","10","","1635","1641","10.1039/b001911i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7043151","18.604","0.005","18.604","0.005","37.123","0.005","90","","90","","120","","11127","4","100","2","100","2","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C10 H7 Cu N O5 -","- C10 H7 Cu N O5 -","- C180 H126 Cu18 N18 O90 -","18","","","Gupta, Anoop K.; De, Dinesh; Bharadwaj, Parimal K.","A NbO type Cu(II) metal‒organic framework showing efficient catalytic activity in Friedländer and Henry reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01595J","","","0.71069","MoKα","","0.1557","0.0915","","","0.2509","0.2959","","","","","","1.06","","","","has coordinates,has disorder","197032","2020-10-21","18:00:00",""
"7045347","11.3371","0.0002","11.3371","0.0002","23.9716","0.0004","90","","90","","120","","2668.28","0.08","100","2","100","2","","","","","","","","6","R -3 m","-R 3 2""","166","","","","- C12 H18 B12 Cl12 Fe N6 -","- C12 H18 B12 Cl12 Fe N6 -","- C36 H54 B36 Cl36 Fe3 N18 -","3","","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0281","0.0238","","","0.0616","0.0632","","","","","","1.143","","","","has coordinates,has disorder","205519","2020-10-21","18:00:00",""
"7119826","18.2623","0.0006","18.2623","0.0006","39.6543","0.0013","90","","90","","120","","11453.3","0.7","296","2","296.15","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C193.68 H54 Cu18 N18 O117 -","- C193.5 H54 Cu18 N18 O116.999 -","- C193.5 H54 Cu18 N18 O116.999 -","1","","","Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen","Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts","Chem.Commun.","2016","52","","8585","","","","","0.71073","MOKα","","0.0784","0.0689","","","0.2158","0.2267","","","","","","1.133","","","","has coordinates,has disorder","194264","2020-10-21","18:00:00",""
"7119827","18.816","0.002","18.816","0.002","38.416","0.005","90","","90","","120","","11779","2","296","2","296.15","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C180 H54 N18 O108 Zn18 -","- C180 H54 N18 O108 Zn18 -","- C180 H54 N18 O108 Zn18 -","1","","","Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen","Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts","Chem.Commun.","2016","52","","8585","","","","","0.71073","MoKα","","0.0901","0.07","","","0.1823","0.19","","","","","","1.184","","","","has coordinates,has disorder","194264","2020-10-21","18:00:00",""
"7121584","25.14","0.003","25.14","0.003","20.039","0.004","90","","90","","120","","10968","3","250","0.1","250","0.1","","","","","","","","7","R -3 m","-R 3 2""","166","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C306 H306 Ag36 F54 N24 O36 S18 -","3","","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.1601","0.1233","","","0.3267","0.3459","","","","","","1.129","","","","has coordinates,has disorder","207591","2020-10-21","18:00:00",""
"7123351","4.5392","0.0004","4.5392","0.0004","11.8347","0.0011","90","","90","","120","","211.18","0.03","100","2","100","2","","","","","","","","1","R -3 m","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","","","Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.","From a volatile molecular precursor to twin-free single crystals of bismuth","Chemical Communications","2019","","","","","10.1039/C9CC02820J","","","0.71073","MoKα","","0.0104","0.0104","","","0.0258","0.0258","","","","","","1.227","","","","has coordinates","214853","2020-10-21","18:00:00",""
"7123352","4.5481","0.0005","4.5481","0.0005","11.86","0.0012","90","","90","","120","","212.46","0.04","298","2","298","2","","","","","","","","1","R -3 m","-R 3 2""","166","","","","- Bi -","- Bi -","- Bi6 -","6","","","Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.","From a volatile molecular precursor to twin-free single crystals of bismuth","Chemical Communications","2019","","","","","10.1039/C9CC02820J","","","0.71073","MoKα","","0.0122","0.012","","","0.0286","0.0287","","","","","","1.429","","","","has coordinates","214853","2020-10-21","18:00:00",""
"7221587","19.0926","0.0009","19.0926","0.0009","37.8155","0.0015","90","","90","","120","","11938","0.9","293.57","0.1","293.57","0.1","","","","","","","","4","R -3 m","-R 3 2""","166","","","","- C11 H5 O5 Zn -","- C11 H5 O5 Zn -","- C198 H90 O90 Zn18 -","18","","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","0.71","MoKα","","0.0856","0.0703","","","0.2075","0.2293","","","","","","1.13","","","","has coordinates","152155","2020-10-21","18:00:00",""