# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:51:38+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') AND volume = 23 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
"4000700","11.6417","0.0006","11.7774","0.0007","13.7069","0.0013","112.458","0.003","99.9654","0.0009","99.163","0.001","1657.3","0.2","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0689","","","","0.0567","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000701","8.711","0.002","11.8136","0.0004","40.528","0.007","89.448","0.002","87.3821","0.0012","83.2487","0.0009","4137.4","1.2","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O5 S17 -","- C31 H34 N2 O5 S17 -","- C124 H136 N8 O20 S68 -","4","2","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0944","","","","0.075","","","","","","1.1514","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000702","9.1985","0.0011","9.5493","0.0013","13.2712","0.0016","75.93","0.003","75.466","0.003","82.159","0.003","1091","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","byproduct","byproduct","","- C24 H20 Cl N O2 S2 -","- C24 H20 Cl N O2 S2 -","- C48 H40 Cl2 N2 O4 S4 -","2","1","","Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo","Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors†","Chemistry of Materials","2011","23","3","795","","10.1021/cm102109p","","","0.71075","MoKα","","0.1221","0.0912","","","0.2632","0.2838","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000703","5.9336","0.0017","7.31","0.002","22.707","0.006","82.283","0.003","82.706","0.004","78.117","0.004","950.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","10051m","10051m","","- C42 H46 S6 -","- C42 H46 S6 -","- C42 H46 S6 -","1","0.5","","Pappenfus, Ted M.; Schneiderman, Deborah K.; Casado, Juan; López Navarrete, Juan T.; Ruiz Delgado, M. Carmen; Zotti, Gianni; Vercelli, Barbara; Lovander, Matthew D.; Hinkle, Lindsay M.; Bohnsack, Jon N.; Mann, Kent R.","Oligothiophene Tetracyanobutadienes: Alternative Donor−Acceptor Architectures for Molecular and Polymeric Materials†","Chemistry of Materials","2011","23","3","823","","10.1021/cm102128g","","","0.71073","MoKα","","0.0636","0.042","","","0.0884","0.0992","","","","","","1.043","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000704","8.358","0.005","17.836","0.005","13.891","0.005","90","","96.544","0.005","90","","2057.3","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 -","- C23 H27 N3 -","- C92 H108 N12 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2267","0.1837","","0.2151","0.2101","0.2151","","","","","","1.0812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000705","8.552","0.005","7.519","0.005","38.551","0.005","90","","91.896","0.005","90","","2478","2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 -","- C29 H31 N3 -","- C116 H124 N12 -","4","2","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties","Chemistry of Materials","2011","23","3","862","873","10.1021/cm102165r","","","0.71069","MoKα","","0.1503","0.0574","","0.1263","0.0743","0.0743","","","","","","0.7826","","","","has coordinates","218797","2020-10-21","18:00:00",""
"4000706","9.173","0.005","18.158","0.005","16.718","0.005","90","","97.576","0.005","90","","2760.3","1.9","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N4 -","- C33 H30 N4 -","- C132 H120 N16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1609","0.0446","","0.0711","0.0491","0.0567","","","","","","1.0386","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000707","7.671","0.005","8.752","0.005","16.741","0.005","96.328","0.005","93.545","0.005","95.462","0.005","1109","1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N6 -","- C23 H26 N6 -","- C46 H52 N12 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1441","0.087","","0.1088","0.0992","0.0989","","","","","","0.7382","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000708","10.92","0.005","14","0.005","15.753","0.005","90","","106.259","0.005","90","","2312","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N9 -","- C23 H25 N9 -","- C92 H100 N36 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1901","0.1265","","0.3538","0.3209","0.3538","","","","","","1.1518","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000709","15.7228","0.0018","11.5429","0.0012","23.123","0.003","90","","90","","90","","4196.5","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Cl N3 -","- C23 H26 Cl N3 -","- C184 H208 Cl8 N24 -","8","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71073","MoKα","","0.1447","0.0553","","0.1472","0.0685","0.1472","","","","","","0.8155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000710","9.244","0.005","10.877","0.005","13.234","0.005","70.273","0.005","70.515","0.005","65.327","0.005","1108.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl2 N3 -","- C23 H25 Cl2 N3 -","- C46 H50 Cl4 N6 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1061","0.0753","","0.2491","0.2331","0.2491","","","","","","0.8807","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000711","17.727","0.005","17.596","0.005","8.291","0.005","90","","91.537","0.005","90","","2585.2","1.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O4 -","- C27 H31 N3 O4 -","- C108 H124 N12 O16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2045","0.0882","","0.0835","0.0749","0.0749","","","","","","0.6887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000712","7.237","0.003","11.484","0.004","9.373","0.003","90","","90","","90","","779","0.5","210","2","210","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","diammonium hypodiphosphate","","- H10 N2 O6 P2 -","- H10 N2 O6 P2 -","- H40 N8 O24 P8 -","4","0.5","","Szklarz, Przemysław; Chański, Michał; Ślepokura, Katarzyna; Lis, Tadeusz","Discovery of Ferroelectric Properties in Diammonium Hypodiphosphate (NH4)2H2P2O6(ADhP)","Chemistry of Materials","2011","23","5","1082","","10.1021/cm102265e","","","0.71073","MoKα","","0.0535","0.0352","","","0.0836","0.0893","","","","","","1.172","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000713","10.45","0.005","10.45","0.005","22.736","0.005","90","0.005","90","0.005","90","0.005","2482.8","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 41","P 4w","76","Compound X","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C48 Mn8 N64 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","x-ray","0.71069","MoKα","","0.0616","0.0545","","","0.1343","0.1396","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000714","10.459","0.0003","10.46","0.0003","11.54","0.0003","83.159","0.002","82.12","0.002","88.964","0.002","1241.66","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C24 Mn4 N32 Nb2 O12 -","2","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","","0.71073","MoKα","","0.1021","0.0898","","","0.2593","0.268","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000715","15.915","0.003","3.923","0.0008","25.855","0.005","90","","94.5","0.03","90","","1609.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 Br2 S2 -","- C6 H2 Br2 S2 -","- C48 H16 Br16 S16 -","8","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0431","0.028","","","0.061","0.0647","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000716","3.9748","0.0008","14.965","0.003","15.68","0.003","117.59","0.03","90.78","0.03","93.57","0.03","824.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Br2 S Se -","- C6 H2 Br2 S Se -","- C24 H8 Br8 S4 Se4 -","4","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0416","0.0301","","","0.0688","0.0733","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000717","7.1517","0.0002","22.9276","0.0005","7.6767","0.0001","90","","97.649","0.001","90","","1247.56","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Ga2 O10 -","- C9 H7 Ga2 O10 -","- C36 H28 Ga8 O40 -","4","1","","Hajjar, Redouane; Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Marrot, Jérôme; Férey, Gérard; Margiolaki, Irene; Fink, Gerhard; Morais, Claudia; Taulelle, Francis","71Ga Slow-CTMAS NMR and Crystal Structures of MOF-Type Gallium Carboxylates with Infinite Edge-Sharing Octahedra Chains (MIL-120 and MIL-124)","Chemistry of Materials","2011","23","1","39","","10.1021/cm1025427","","","0.71073","MoKα","","0.0345","0.0301","","","0.0953","0.1053","","","","","","1.188","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000718","16.7435","0.0002","16.7435","0.0002","16.7435","0.0002","90","","90","","90","","4693.95","0.1","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tin-manganese carbide","","","- C12 La21 Mn8 Sn7 -","- C12 La21 Mn8 Sn7 -","- C48 La84 Mn32 Sn28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.018","","","0.0369","0.0379","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000719","16.4829","0.0004","16.4829","0.0004","16.4829","0.0004","90","","90","","90","","4478.17","0.19","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-antimony-manganese carbide","","","- C12 La21 Mn8 Sb7 -","- C12 La21 Mn8 Sb7 -","- C48 La84 Mn32 Sb28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0186","0.0177","","","0.038","0.0382","","","","","","1.384","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000720","16.2259","0.0003","16.2259","0.0003","16.2259","0.0003","90","","90","","90","","4271.95","0.14","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-germanium-aluminium-manganese carbide","","","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C48 Al3.32 Ge24.68 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0215","0.02","","","0.042","0.0425","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000721","16.6072","0.0005","16.6072","0.0005","16.6072","0.0005","90","","90","","90","","4580.3","0.2","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-bismuth-manganese carbide","","","- C12 Bi7 La21 Mn8 -","- C12 Bi7 La21 Mn8 -","- C48 Bi28 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.0188","","","0.0369","0.0375","","","","","","1.243","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000722","16.4455","0.0007","16.4455","0.0007","16.4455","0.0007","90","","90","","90","","4447.8","0.3","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-manganese carbide","","","- C12 La20.02 Mn8 Te7 -","- C12 La20.024 Mn8 Te7 -","- C48 La80.096 Mn32 Te28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0319","0.0234","","","0.0446","0.047","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000723","16.2911","0.0007","16.2911","0.0007","16.2911","0.0007","90","","90","","90","","4323.7","0.3","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-aluminium-manganese carbide","","","- C12 Al2.66 Fe8 La20.71 Te4.34 -","- C12 Al2.658 Fe8 La20.71 Te4.342 -","- C48 Al10.632 Fe32 La82.84 Te17.368 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.04","0.04","","","0.0935","0.0935","","","","","","1.559","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000724","12.3853","0.0001","12.3853","0.0001","3.82","0.00004","90","","90","","90","","585.971","0.009","293","","293","","","","","","","","","3","I 4/m","-I 4","87","PX phase of lead titanate","","","- O3 Pb Ti -","- O3 Pb Ti -","- O24 Pb8 Ti8 -","8","0.5","","Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava","Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate","Chemistry of Materials","2011","23","10","2529","","10.1021/cm1030206","powder diffraction","","0.498358","synchrotron","","0.0188","0.0188","","","0.0277","0.0277","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000725","9.1838","0.0011","16.135","0.002","19.005","0.002","98.794","0.002","92.691","0.003","90.956","0.002","2779.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Cd N6 S4 -","- C20 H40 Cd N6 S4 -","- C80 H160 Cd4 N24 S16 -","4","2","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0902","0.0453","","","0.068","0.0777","","","","","","0.684","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000726","9.092","0.0008","11.5052","0.001","26.955","0.002","90","","98.799","0.002","90","","2786.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 S4 Zn -","- C20 H40 N6 S4 Zn -","- C80 H160 N24 S16 Zn4 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0686","0.036","","","0.0492","0.0541","","","","","","0.743","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000727","11.6199","0.0013","13.397","0.0015","11.6558","0.0013","90","","104.163","0.002","90","","1759.3","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N6 O2 S2 Zn -","- C28 H56 N6 O2 S2 Zn -","- C56 H112 N12 O4 S4 Zn2 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000728","10.1973","0.0001","10.1973","0.0001","10.1973","0.0001","90","","90","","90","","1060.36","0.018","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Sodium Silicide","Sodium Silicide","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0111","0.011","","","0.0253","0.0254","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000729","14.7121","0.0001","14.7121","0.0001","14.7121","0.0001","90","","90","","90","","3184.37","0.04","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Silicide","Sodium Silicide","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0116","0.0115","","","0.029","0.029","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000730","30.319","0.002","30.319","0.002","10.119","0.001","90","","90","","120","","8055.6","1.1","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C90 H60 Ag6 F18 N24 O24 S6 -","- C90 H60 Ag6 F18 N24 O24 S6 -","- C270 H180 Ag18 F54 N72 O72 S18 -","3","0.333333","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods","Chemistry of Materials","2011","23","6","1505","","10.1021/cm103182e","","","0.71073","MoKα","","0.051","0.0382","","","0.0786","0.0926","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000731","7.1827","0.0001","7.1827","0.0001","7.1827","0.0001","90","","90","","90","","370.564","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000732","7.1907","0.0001","7.1907","0.0001","7.1907","0.0001","90","","90","","90","","371.804","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000733","7.2001","0.0001","7.2001","0.0001","7.2001","0.0001","90","","90","","90","","373.264","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000734","7.2109","0.0001","7.2109","0.0001","7.2109","0.0001","90","","90","","90","","374.946","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000735","7.2216","0.0002","7.2216","0.0002","7.2216","0.0002","90","","90","","90","","376.617","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000736","7.2341","0.0002","7.2341","0.0002","7.2341","0.0002","90","","90","","90","","378.576","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000737","7.2479","0.0002","7.2479","0.0002","7.2479","0.0002","90","","90","","90","","380.747","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000738","7.2611","0.0002","7.2611","0.0002","7.2611","0.0002","90","","90","","90","","382.831","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000739","7.2745","0.0002","7.2745","0.0002","7.2745","0.0002","90","","90","","90","","384.955","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000740","7.2875","0.0003","7.2875","0.0003","7.2875","0.0003","90","","90","","90","","387.02","0.03","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000741","8.48212","0.0001","8.48212","0.0001","8.48212","0.0001","90","","90","","90","","610.258","0.012","","","1173","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li0.056 O0.165 Ti0.069 -","- Li0.0553917 O0.166667 Ti0.0694417 -","- Li10.6352 O32 Ti13.3328 -","192","1","","Laumann, Andreas; Boysen, Hans; Bremholm, Martin; Fehr, K. Thomas; Hoelzel, Markus; Holzapfel, Michael","Lithium Migration at High Temperatures in Li4Ti5O12Studied by Neutron Diffraction","Chemistry of Materials","2011","23","11","2753","","10.1021/cm103332y","powder diffraction","neutron","1.5483","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000742","11.5616","0.0013","3.9304","0.0004","16.8423","0.0018","90","","90","","90","","765.34","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper sulfide","","","- Ce2 Cu S5 Yb -","- Ce2 Cu S5 Yb -","- Ce8 Cu4 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0269","0.0242","","","0.0579","0.0588","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000743","12.1113","0.0007","4.078","0.0003","17.5714","0.0011","90","","90","","90","","867.85","0.1","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper selenide","","","- Ce2 Cu Se5 Yb -","- Ce2 Cu Se5 Yb -","- Ce8 Cu4 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0316","0.029","","","0.0745","0.0757","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000744","11.615","0.004","3.9662","0.0013","16.923","0.006","90","","90","","90","","779.6","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper sulfide","","","- Cu La2 S5 Yb -","- Cu La2 S5 Yb -","- Cu4 La8 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0261","","","0.0617","0.0628","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000745","12.1326","0.0011","4.1119","0.0004","17.6653","0.0016","90","","90","","90","","881.29","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper selenide","","","- Cu La2 Se5 Yb -","- Cu La2 Se5 Yb -","- Cu4 La8 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.046","0.0369","","","0.0936","0.0966","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000746","11.5323","0.0008","3.8531","0.0003","16.647","0.0012","90","","90","","90","","739.71","0.09","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","samarium ytterbium copper sulfide","","","- Cu S5 Sm2 Yb -","- Cu S5 Sm2 Yb -","- Cu4 S20 Sm8 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0263","","","0.0655","0.0665","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000747","6.3028","0.00029","6.25587","0.00023","5.81797","0.00007","90","","90","","90","","229.4","0.014","20","","20","","","","","","","","","2","F m m m","-F 2 2","69","","","","- O6.88 Rb4 -","- O6.88 Rb4 -","- O6.88 Rb4 -","1","0.03125","","Riyadi, Syarif; Giriyapura, Shivakumara; de Groot, Robert A.; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.; Blake, Graeme R.","Ferromagnetic Order from p-Electrons in Rubidium Oxide","Chemistry of Materials","2011","23","6","1578","","10.1021/cm103433r","powder diffraction","x-ray","1.54059","","","","","","","","","0.0382","","0.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000748","15.11","0.001","3.744","0.0005","9.1693","0.0015","90","","98.984","0.007","90","","512.36","0.11","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na2 O13 Ti6 -","- Na2 O13 Ti6 -","- Na4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000749","15.3065","0.0004","3.74739","0.00008","9.1404","0.0002","90","","99.379","0.002","90","","517.28","0.02","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li2 O13 Ti6 -","- Li2 O13 Ti6 -","- Li4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000750","10.442","0.003","10.442","0.003","13.216","0.008","90","","90","","120","","1248","0.9","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ce0.08 Na0.67 O1.5 Si0.5 -","- Ce0.0833333 Na0.666667 O1.5 Si0.5 -","- Ce3 Na24 O54 Si18 -","36","1","","Wang, Xi; Li, Jiyang; Han, Yide; Li, Yi; Yu, Jihong; Xu, Ruren","Na8CeSi6O18and Its Ti-Doped Analogue Na8Ce0.73Ti0.27Si6O18with Interesting Photovoltaic Properties","Chemistry of Materials","2011","23","11","2842","","10.1021/cm200104t","","","0.71073","MoKα","","0.0919","0.0895","","","0.2186","0.2203","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000751","10.8423","0.0011","10.8423","0.0011","10.8423","0.0011","90","","90","","90","","1274.6","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se4 Ta4 Te4 -","- Ga Se4 Ta4 Te4 -","- Ga4 Se16 Ta16 Te16 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0262","0.0258","","","0.032","0.0322","","","","0.92","0.92","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000752","10.9955","0.0013","10.9955","0.0013","10.9955","0.0013","90","","90","","90","","1329.4","0.3","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se2 Ta4 Te6 -","- Ga Se2 Ta4 Te6 -","- Ga4 Se8 Ta16 Te24 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0479","0.0475","","","0.0519","0.0521","","","","1.16","1.16","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000753","10.7389","0.001","10.7389","0.001","10.7389","0.001","90","","90","","90","","1238.5","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se5.24 Ta4 Te2.76 -","- Ga Se5.24 Ta4 Te2.76 -","- Ga4 Se20.96 Ta16 Te11.04 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0309","0.028","","","0.0383","0.0391","","","","1.13","1.13","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000754","11.3691","0.0008","11.2041","0.0006","17.6065","0.0011","90","","101.148","0.007","90","","2200.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H64 O4 Sn4 Zn4 -","- C27 H64 O4 Sn4 Zn4 -","- C54 H128 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0776","0.0669","","","0.1577","0.1639","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000755","11.2398","0.0002","11.0673","0.0002","16.6253","0.0004","90","","98.927","0.002","90","","2043.04","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 O4 Sn4 Zn4 -","- C23 H56 O4 Sn4 Zn4 -","- C46 H112 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0231","0.0205","","","0.0401","0.0405","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000756","7.03676","0.00013","11.5431","0.0002","13.8379","0.001","76.874","0.005","75.87","0.005","74.923","0.005","1036.28","0.09","123.1","","123.1","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H15 F5 -","- C30 H15 F5 -","- C60 H30 F10 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0529","","","","0.1521","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000757","9.2589","0.0007","10.9073","0.0008","10.9164","0.0009","66.773","0.004","80.036","0.004","89.745","0.005","995.33","0.14","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0694","","","","0.201","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000758","11.004","0.002","13.139","0.003","15.31","0.003","81.67","0.03","87.02","0.03","69.85","0.03","2056.1","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2,2,6,6-tetramethylheptane-3,5-dionato)silver(i)-triethylphosphine","","- C34 H68 Ag2 O4 P2 -","- C34 H68 Ag2 O4 P2 -","- C68 H136 Ag4 O8 P4 -","2","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0441","0.0279","","","0.0555","0.0606","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000759","15.573","0.003","16.835","0.003","16.276","0.003","90","","90","","90","","4267.1","1.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoroocta-3,5-dionato)silver(I)-triethylphosphine","","- C16 H25 Ag F7 O2 P -","- C16 H25 Ag F7 O2 P -","- C128 H200 Ag8 F56 O16 P8 -","8","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0987","0.0751","","","0.1773","0.1893","","","","","","1.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000760","13.464","0.008","29.985","0.017","19.717","0.011","90","","90","","90","","7960","8","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C86 H50 Cu9 N40 O22 -","- C86 H50 Cu9 N40 O22 -","- C172 H100 Cu18 N80 O44 -","2","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.1304","0.0778","","","0.1731","0.1943","","","","","","0.91","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000761","7.119","0.006","21.58","0.02","9.1","0.008","90","","90","","90","","1398","2","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C21 H23 Cu2 N9 O6 -","- C21 H23 Cu2 N9 O6 -","- C42 H46 Cu4 N18 O12 -","2","0.25","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0663","0.0604","","","0.1503","0.154","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000762","7.185","0.0015","9.1854","0.0019","21.544","0.005","90","","90","","90","","1421.8","0.5","298","2","298","2","","","","","","","","6","I m a 2","I 2 -2a","46","Cu-TBA-2F","","","- C11.16 H8 Cu F0.33 N5 O3 -","- C11.164 H8 Cu F0.334 N5 O3 -","- C44.656 H32 Cu4 F1.336 N20 O12 -","4","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0933","0.0723","","","0.1961","0.2091","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000763","11.185","0.0018","6.4007","0.001","14.191","0.002","90","","104.634","0.002","90","","983","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Uranyl Fluoroborate Hydrate","","","- B5 F Na O12 U -","- B5 F Na O12 U -","- B20 F4 Na4 O48 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0177","0.0164","","","0.0342","0.0347","","","","","","0.772","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000764","6.443","0.002","13.439","0.005","10.799","0.003","90","","90.625","0.007","90","","935","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium Uranyl Fluoroborate","","","- B5 F K O11 U -","- B5 F K O11 U -","- B20 F4 K4 O44 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.035","0.0249","","","0.0521","0.0555","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000765","11.0914","0.0008","11.0914","0.0008","26.577","0.003","90","","90","","120","","2831.5","0.4","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","Potassium Uranyl Fluoroborate","","","- B25 F22 K11 O51 U6 -","- B25 F22 K11 O51 U6 -","- B50 F44 K22 O102 U12 -","2","0.166667","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0487","0.0262","","","0.0457","0.0501","","","","","","0.916","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000766","11.1442","0.0016","6.4828","0.0009","13.874","0.002","90","","95.462","0.002","90","","997.8","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Rubidium Uranyl Fluoroborate","","","- B5 F O11 Rb U -","- B5 F O11 Rb U -","- B20 F4 O44 Rb4 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0142","0.0136","","","0.0325","0.0328","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000767","6.4163","0.0011","6.4663","0.0011","7.1357","0.0012","103.275","0.002","92.053","0.002","119.58","0.002","246.67","0.07","103","2","103","2","","","","","","","","5","P 1","P 1","1","Thallium Uranyl Fluoroborate","","","- B5 F O11 Tl U -","- B5 F O11 Tl U -","- B5 F O11 Tl U -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0361","0.0294","","","0.0522","0.054","","","","","","0.968","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000768","11.1753","0.0016","6.3975","0.0009","14.113","0.002","90","","104.93","0.002","90","","974.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Neptunium (VI) Fluoroborate Hydrate","","","- B5 F Na Np O12 -","- B5 F Na Np O12 -","- B20 F4 Na4 Np4 O48 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0175","0.0168","","","0.0343","0.0345","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000769","25.559","0.006","25.559","","25.559","","90","","90","","90","","16697","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H48 O13 S12 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","He, Jun; Yee, Ka-Kit; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Thioether Side Chains Improve the Stability, Fluorescence, and Metal Uptake of a Metal‒Organic Framework","Chemistry of Materials","2011","23","11","2940","","10.1021/cm200557e","","","0.71073","MoKα","","0.2272","0.0948","","","0.2878","0.333","","","","","","0.834","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000770","3.62","0.0013","3.62","0.0013","11.97","0.00012","90","","90","","120","","135.84","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Co S4 -","- Al2 Co S4 -","- Al2 Co S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.77535","synchrotron","","0.0288","0.0288","","","0.0545","0.0545","","","","","","1.198","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000771","3.7013","0.0013","3.7013","0.0013","36.416","0.0012","90","","90","","120","","432","0.2","150","2","150","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Al2 Mn S4 -","- Al2 Mn S4 -","- Al6 Mn3 S12 -","3","0.166667","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.023","0.021","","","0.0513","0.0523","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000772","3.6825","0.0013","3.6825","0.0013","12.192","0.0012","90","","90","","120","","143.18","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Fe S4 -","- Al2 Fe S4 -","- Al2 Fe S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.0836","0.0566","","","0.1262","0.1498","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000773","10.171","0.0012","10.171","0.0012","10.171","0.0012","90","","90","","90","","1052.2","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/0.5/3.5/8)","","- Cr Ga2 Se16 V7 -","- Cr Ga2 Se16 V7 -","- Cr2 Ga4 Se32 V14 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0284","0.0242","","","0.0489","0.0495","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000774","10.1818","0.0012","10.1818","0.0012","10.1818","0.0012","90","","90","","90","","1055.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1/3/8)","","- Cr Ga Se8 V3 -","- Cr Ga Se8 V3 -","- Cr4 Ga4 Se32 V12 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0283","0.0241","","","0.0492","0.0497","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000775","10.1661","0.0012","10.1661","0.0012","10.1661","0.0012","90","","90","","90","","1050.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1.5/2.5/8)","","- Cr3 Ga2 Se16 V5 -","- Cr3 Ga2 Se16 V5 -","- Cr6 Ga4 Se32 V10 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0383","0.0322","","","0.0713","0.0733","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000776","10.1623","0.0012","10.1623","0.0012","10.1623","0.0012","90","","90","","90","","1049.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2/2/8)","","- Cr2 Ga Se8 V2 -","- Cr2 Ga Se8 V2 -","- Cr8 Ga4 Se32 V8 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0215","0.0209","","","0.0499","0.0501","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000777","10.2045","0.0012","10.2045","0.0012","10.2045","0.0012","90","","90","","90","","1062.6","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2.5/1.5/8)","","- Cr5 Ga2 Se16 V3 -","- Cr5 Ga2 Se16 V3 -","- Cr10 Ga4 Se32 V6 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0249","0.0231","","","0.0507","0.0513","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000778","10.236","0.002","10.236","0.002","10.236","0.002","90","","90","","90","","1072.5","0.4","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3/1/8)","","- Cr3 Ga Se8 V -","- Cr3 Ga Se8 V -","- Cr12 Ga4 Se32 V4 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0516","0.0315","","","0.0568","0.06","","","","","","0.813","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000779","10.2525","0.0012","10.2525","0.0012","10.2525","0.0012","90","","90","","90","","1077.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3.5/0.5/8)","","- Cr7 Ga2 Se16 V -","- Cr7 Ga2 Se16 V -","- Cr14 Ga4 Se32 V2 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0205","0.0151","","","0.0338","0.0343","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000780","7.458","0.004","7.458","0.004","7.458","0.004","90","","90","","90","","414.8","0.4","294","2","294","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Bi0.94 Mn7 O12 -","- Bi0.9448 Mn7 O12 -","- Bi1.8896 Mn14 O24 -","2","0.0416667","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0269","0.0195","","","0.0326","0.0343","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000781","6.4774","0.0016","6.4774","0.0016","6.4774","0.0016","109.57","0.03","109.57","0.03","109.57","0.03","208.44","0.16","294","2","294","2","","","","","","","","3","R 3 :R","P 3*","146","","","","- Bi0.95 Mn7 O12 -","- Bi0.947 Mn7 O12 -","- Bi0.947 Mn7 O12 -","1","0.333333","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0645","0.0508","","","0.0862","0.0916","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000782","10.779","0.002","10.776","0.001","15.663","0.005","90","","99.993","0.006","90","","1791.7","0.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium Gallium Selenide","","- Ga Se2 Tl -","- Ga Se2 Tl -","- Ga16 Se32 Tl16 -","16","2","","Johnsen, Simon; Liu, Zhifu; Peters, John A.; Song, Jung-Hwan; Peter, Sebastian C.; Malliakas, Christos D.; Cho, Nam Ki; Jin, Hosub; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2for Radiation Detectors","Chemistry of Materials","2011","23","12","3120","","10.1021/cm200946y","","","","","","0.0652","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000783","19.1179","0.0014","19.1179","0.0014","19.1179","0.0014","90","","90","","90","","6987.5","0.9","296","2","296","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Te3 Tl2 Zr -","- Te3 Tl2 Zr -","- Te108 Tl72 Zr36 -","36","3","","Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger","Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3","Chemistry of Materials","2011","23","17","3886","","10.1021/cm200994t","","","0.71073","MoKα","","0.0481","0.0387","","","0.0602","0.0644","","","","","","1.192","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000784","11.2592","0.0009","21.3322","0.0017","13.6198","0.0011","90","","101.797","0.001","90","","3202.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rubrene endoperoxide anisole solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene anisole solvate","","- C45.5 H32 O2.5 -","- C42 H28 O2 -","- C168 H112 O8 -","4","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.097","0.0518","","","0.1332","0.1683","","","","","","0.724","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000785","7.6249","0.0006","11.1636","0.0009","22.6554","0.0019","101.703","0.001","94.307","0.001","97.867","0.001","1860","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","rubrene endoperoxide dioxane solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene dioxane solvate","","- C50 H44 O6 -","- C50 H44 O6 -","- C100 H88 O12 -","2","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.0691","0.0481","","","0.1174","0.1294","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000786","10.452","","6.391","","10.874","","90","","90","","90","","726.369","","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F0 Li2 O5 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Hadermann, Joke; Abakumov, Artem M.; Turner, Stuart; Hafideddine, Zainab; Khasanova, Nellie R.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf","Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F","Chemistry of Materials","2011","23","15","3540","","10.1021/cm201257b","","","0.025","726.3693","","0.244","0.2421","","","0.2371","0.2371","","","","9.11","9.11","8.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000787","18.4561","0.0006","19.2278","0.0007","21.1756","0.0009","75.381","0.002","89.901","0.002","89.104","0.002","7270.4","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","dilithium (N-methyl-N-butylpyrrolidinium) tris(bis(trifluoromethanesulfonyl)imide","","- C60 H80 F72 Li8 N16 O48 S24 -","- C60 H80.044 F72 Li8 N16 O48 S24 -","- C120 H160.088 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.1482","0.0481","","","0.0612","0.0721","","","","","","0.729","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000788","18.4848","0.0006","19.1867","0.0006","22.1063","0.0008","74.5677","0.0019","88.853","0.002","89.2831","0.0018","7555.9","0.4","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 F72 Li8 N16 O48 S24 -","- C64 H88 F72 Li8 N16 O48 S24 -","- C128 H176 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.0947","0.0485","","","0.1131","0.1395","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000789","8.27528","0.00015","8.27528","","8.27528","","90","","90","","90","","566.693","0.01","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2.03 Ni O8 -","- Ge3 Li2.03043 Ni O8 -","- Ge12 Li8.12172 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.07198","","1.49","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000790","8.19851","0.00011","8.19851","","8.19851","","90","","90","","90","","551.067","0.007","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2 Ni O8 -","- Ge3 Li2 Ni O8 -","- Ge12 Li8 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.05515","","1.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000791","8.28823","0.00017","8.28823","","8.28823","","90","","90","","90","","569.358","0.012","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li1.99 O8 Zn -","- Ge3 Li1.99416 O8 Zn -","- Ge12 Li7.97664 O32 Zn4 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.11522","","1.43","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000792","14.8683","0.0002","5.6636","0.0001","17.6849","0.0003","90","","90","","90","","1489.21","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","2","","Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang","Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation","Chemistry of Materials","2011","23","16","3752","","10.1021/cm2015143","","","0.71073","MoKα","","0.022","0.0205","","","0.0383","0.0387","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000793","9.955","0.003","9.955","0.003","4.228","0.003","90","","90","","120","","362.9","0.3","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 K0.24 La0.67 Te2 -","- Cu1.758 K0.241333 La0.666667 Te2 -","- Cu5.274 K0.724 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0274","0.0268","","","0.0613","0.0617","","","","","","1.218","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000794","9.9649","0.0009","9.9649","0.0009","4.2042","0.0009","90","","90","","120","","361.54","0.09","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 K0.24 Te2 -","- Ce0.666667 Cu1.756 K0.243333 Te2 -","- Ce2 Cu5.268 K0.73 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0203","","","0.0422","0.0426","","","","","","1.32","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000795","9.9598","0.0007","9.9598","0.0007","4.1763","0.0006","90","","90","","120","","358.78","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.75 K0.25 Pr0.67 Te2 -","- Cu1.746 K0.254 Pr0.666667 Te2 -","- Cu5.238 K0.762 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0203","0.02","","","0.0438","0.0439","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000796","9.9683","0.0006","9.9683","0.0006","4.159","0.0005","90","","90","","120","","357.9","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.74 K0.26 Nd0.67 Te2 -","- Cu1.744 K0.255333 Nd0.666667 Te2 -","- Cu5.232 K0.766 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0147","0.0139","","","0.0305","0.0308","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000797","10.0056","0.0008","10.0056","0.0008","4.2336","0.0006","90","","90","","120","","367.05","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 La0.67 Rb0.24 Te2 -","- Cu1.762 La0.666667 Rb0.238667 Te2 -","- Cu5.286 La2 Rb0.716 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.024","0.0231","","","0.0498","0.0503","","","","","","1.244","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000798","10.0014","0.0008","10.0014","0.0008","4.1976","0.0006","90","","90","","120","","363.62","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 Rb0.24 Te2 -","- Ce0.666667 Cu1.764 Rb0.235333 Te2 -","- Ce2 Cu5.292 Rb0.706 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0198","0.019","","","0.0414","0.0417","","","","","","1.311","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000799","9.9955","0.0006","9.9955","0.0006","4.1643","0.0005","90","","90","","120","","360.31","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.78 Pr0.67 Rb0.22 Te2 -","- Cu1.782 Pr0.666667 Rb0.218 Te2 -","- Cu5.346 Pr2 Rb0.654 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0209","0.0208","","","0.0456","0.0457","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000800","9.9985","0.0008","9.9985","0.0008","4.1487","0.0006","90","","90","","120","","359.18","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.77 Nd0.67 Rb0.23 Te2 -","- Cu1.768 Nd0.666667 Rb0.232 Te2 -","- Cu5.304 Nd2 Rb0.696 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0212","0.0211","","","0.0507","0.0507","","","","","","1.277","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000801","10.0841","0.0006","10.0841","0.0006","4.2366","0.0006","90","","90","","120","","373.1","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 La0.67 Te2 -","- Cs0.251333 Cu1.7488 La0.666667 Te2 -","- Cs0.754 Cu5.2464 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0202","","","0.0386","0.0389","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000802","10.0777","0.0007","10.0777","0.0007","4.1918","0.0005","90","","90","","120","","368.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cs0.26 Cu1.74 Te2 -","- Ce0.666667 Cs0.256 Cu1.744 Te2 -","- Ce2 Cs0.768 Cu5.232 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0207","0.0203","","","0.0437","0.0439","","","","","","1.248","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000803","10.0763","0.0008","10.0763","0.0008","4.1702","0.0005","90","","90","","120","","366.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.24 Cu1.76 Pr0.67 Te2 -","- Cs0.244 Cu1.756 Pr0.666667 Te2 -","- Cs0.732 Cu5.268 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0189","0.0183","","","0.0408","0.0412","","","","","","1.201","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000804","10.0695","0.0009","10.0695","0.0009","4.1461","0.0008","90","","90","","120","","364.07","0.08","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 Nd0.67 Te2 -","- Cs0.249333 Cu1.75 Nd0.666667 Te2 -","- Cs0.748 Cu5.25 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0242","0.0235","","","0.0443","0.0446","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000805","5.3535","0.0002","5.3535","0.0002","31.0814","0.0012","90","","90","","120","","771.45","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce0.33 Pt1.67 Sb0.33 -","- Ce Pt5 Sb -","- Ce6 Pt30 Sb6 -","6","0.333333","","Salamakha, L.; Bauer, E.; Michor, H.; Hilscher, G.; Müller, H.; Svagera, R.; Sologub, O.; Rogl, P.; Hester, J.; Roisnel, T.; Giester, G.; Mudryi, S.","First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb","Chemistry of Materials","2011","23","17","4016","","10.1021/cm201584f","","","0.71073","MoKα","","0.0322","0.0242","","","0.0544","0.0559","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000806","4.62","0.002","5.747","0.009","4.857","0.003","91.34","0.1","91.48","0.05","84.68","0.09","128.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0431","0.0382","","","0.0917","0.0934","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000807","4.542","0.006","5.461","0.016","4.98","0.009","90.5","0.2","86.8","0.13","89.84","0.19","123.3","0.5","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0308","0.0308","","","0.0663","0.0663","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000808","4.695","0.001","5.832","0.001","4.876","0.001","91.64","0.03","92.39","0.03","82.93","0.03","132.34","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0351","0.0342","","","0.0923","0.0932","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000809","4.708","0.001","5.84","0.001","4.884","0.001","91.77","0.03","92.47","0.03","82.81","0.03","133.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0267","0.0256","","","0.0653","0.0658","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000810","7.798","0.015","7.212","0.014","10.351","0.019","90","","93.97","0.02","90","","580.7","1.9","125","2","125","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs4 Cu6 F24 Zr2 -","2","0.5","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.062","0.0489","","","0.1022","0.1087","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000811","7.156","0.0019","7.156","0.0019","20.447","0.007","90","","90","","120","","906.8","0.5","292","2","292","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs6 Cu9 F36 Zr3 -","3","0.0833333","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.0516","0.0474","","","0.0993","0.1041","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000812","5.60125","0.00009","15.661","0.0002","11.25153","0.00017","90","","90","","90","","987","0.03","0","","0","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Fe0.75 Mn0.25 O3 -","- Bi Fe0.75 Mn0.25 O3 -","- Bi16 Fe12 Mn4 O48 -","16","2","","Belik, Alexei A.; Abakumov, Artem M.; Tsirlin, Alexander A.; Hadermann, Joke; Kim, Jungeun; Van Tendeloo, Gustaaf; Takayama-Muromachi, Eiji","Structure and Magnetic Properties of BiFe0.75Mn0.25O3Perovskite Prepared at Ambient and High Pressure","Chemistry of Materials","2011","23","20","4505","","10.1021/cm201774y","powder diffraction","","0.41916","X-ray","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000813","7.6205","0.0002","7.6205","0.0002","32.3603","0.0007","90","","90","","90","","1879.23","0.08","293","","293","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- In2 S3 -","- In2 S3 -","- In32 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0325","0.0229","","","0.068","0.0755","","","","1.16","1.16","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000814","7.6038","0.0005","7.6038","0.0005","32.26","0.002","90","","90","","90","","1865.2","0.2","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Al0.06 In1.94 S3 -","- Al0.06 In1.94 S3 -","- Al0.96 In31.04 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0657","0.0391","","","0.0854","0.1009","","","","1.17","1.17","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000815","10.699","0.0007","10.699","0.0007","10.699","0.0007","90","","90","","90","","1224.7","0.14","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.293 In2.373 S4 -","- Al0.293 In2.374 S4 -","- Al2.344 In18.992 S32 -","8","0.0416667","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.064","0.0474","","","0.1086","0.1144","","","","1.7","1.7","1.57","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000816","20.041","0.003","16.808","0.003","9.9175","0.0013","90","","100.606","0.005","90","","3283.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ea007","ea007","","- C74 H78 N2 O4 S8 -","- C74 H78 N2 O4 S8 -","- C148 H156 N4 O8 S16 -","2","0.5","","Ahmed, Eilaf; Ren, Guoqiang; Kim, Felix S.; Hollenbeck, Emily C.; Jenekhe, Samson A.","Design of New Electron Acceptor Materials for Organic Photovoltaics: Synthesis, Electron Transport, Photophysics, and Photovoltaic Properties of Oligothiophene-Functionalized Naphthalene Diimides","Chemistry of Materials","2011","23","20","4563","","10.1021/cm2019668","","","0.71073","MoKα","","0.2102","0.0995","","","0.2407","0.3197","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000817","11.493","0.002","6.6953","0.0013","12.937","0.003","90","","114.98","0.03","90","","902.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 S4 Tl2 -","- Hg3 S4 Tl2 -","- Hg12 S16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0667","0.0463","","","0.1058","0.1351","","","","","","1.15","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000818","11.977","0.002","6.9264","0.0014","13.203","0.003","90","","116.36","0.03","90","","981.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Se4 Tl2 -","- Hg3 Se4 Tl2 -","- Hg12 Se16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0705","0.0589","","","0.1307","0.1358","","","","","","1.179","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000819","12.648","0.003","7.3574","0.0015","13.701","0.003","90","","117.48","0.03","90","","1131.1","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Te4 Tl2 -","- Hg3 Te4 Tl2 -","- Hg12 Te16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0731","0.0513","","","0.0973","0.1032","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000820","6.2034","0.0016","16.478","0.004","14.518","0.004","90","","92.406","0.004","90","","1482.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C64 H88 N4 O12 -","2","0.5","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","0.71073","MoKα","","0.089","0.0477","","","0.1021","0.1147","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000821","11.1895","0.0009","11.7874","0.0011","11.9792","0.0009","96.371","0.008","91.176","0.007","92.485","0.007","1568.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPSQ","","","- C40 H28 N2 O6 -","- C40 H28 N2 O6 -","- C80 H56 N4 O12 -","2","1","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","1.54178","CuKα","","0.1154","0.0819","","","0.224","0.2434","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000823","19.9092","0.0005","7.7405","0.0001","9.5638","0.0002","90","","90","","90","","1473.85","0.05","293","","293","","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C15 H20 N3 O3 -","- C15 H20 N3 O3 -","- C60 H80 N12 O12 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71073","MoKα","","0.0495","0.0363","","","0.0924","0.0991","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000824","13.922","0.005","11.778","0.005","24.558","0.005","90","","90","","90","","4027","2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N3 O4 -","- C18 H26 N3 O4 -","- C144 H208 N24 O32 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1065","0.084","","","0.2337","0.2643","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000825","7.738","0.005","19.085","0.005","9.148","0.005","90","0.005","102.262","0.005","90","0.005","1320.2","1.2","293","","293","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.0716","0.0425","","","0.1043","0.1193","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000826","13.7796","0.0007","12.3236","0.0006","16.0651","0.0004","90","","90","","90","","2728.1","0.2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1108","0.0598","","","0.1436","0.1713","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000827","13.7284","0.0006","12.2673","0.0006","16.0254","0.0008","90","","90","","90","","2698.8","0.2","15","2","15","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.4428","synchrotron","","0.0799","0.0622","","","0.1756","0.1975","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000828","7.3599","0.0004","24.7921","0.0013","29.7428","0.0016","90","","94.438","0.002","90","","5410.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Cs Fe N7 Ni O11 -","- C57 H24 Cs Fe N7 Ni O11 -","- C228 H96 Cs4 Fe4 N28 Ni4 O44 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1049","0.0921","","","0.2421","0.2591","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000829","7.2383","0.0004","24.673","0.0013","30.0729","0.0017","90","","94.671","0.002","90","","5352.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Fe N7 Ni O11 Rb -","- C57 H24 Fe N7 Ni O11 Rb -","- C228 H96 Fe4 N28 Ni4 O44 Rb4 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1631","0.1309","","","0.2887","0.3053","","","","","","1.132","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000830","7.3772","0.0013","24.965","0.004","29.96","0.005","90","","93.307","0.004","90","","5508.6","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs","","","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C192 H96 Cs4 Fe4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1455","0.0648","","","0.1532","0.1768","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000831","7.366","0.003","25.065","0.01","30.377","0.012","90","","93.03","0.008","90","","5601","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Rb","","","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C192 H96 Fe4 N16 Ni4 O32 Rb4 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1618","0.0837","","","0.2193","0.2463","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000832","7.228","0.004","24.997","0.016","30.902","0.017","90","","93.167","0.015","90","","5575","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)K(H2O)","","","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C192 H96 Fe4 K4 N16 Ni4 O36 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.194","0.0824","","","0.1999","0.2394","","","","","","0.793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000833","7.09","0.002","25.628","0.009","30.347","0.01","90","","93.375","0.007","90","","5505","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Na","","","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C192 H96 Fe4 N16 Na4 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.2749","0.1151","","","0.2803","0.3192","","","","","","0.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000834","7.4852","0.0011","24.226","0.004","30.107","0.004","90","","93.299","0.004","90","","5450.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Li","","","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C192 H96 Fe4 Li4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1741","0.0705","","","0.1744","0.1989","","","","","","0.764","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000835","4.6232","0.0009","8.008","0.003","14.182","0.003","90","","90","0.03","90","","525.1","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- B2 Be2 Ca F Na O6 -","- B2 Be2 Ca F Na O6 -","- B8 Be8 Ca4 F4 Na4 O24 -","4","1","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0604","0.0546","","","0.1285","0.1304","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000836","4.7054","0.0016","4.7054","0.0016","14.554","0.003","90","","90","","120","","279.07","0.15","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- B2 Be2 Ca F K O6 -","- B2 Be2 Ca F K O6 -","- B4 Be4 Ca2 F2 K2 O12 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0215","0.0193","","","0.0666","0.0688","","","","","","1.09","","","","has coordinates","265253","2021-05-16","09:36:35",""
"4000837","4.7652","0.001","4.7652","0.001","15.05","0.003","90","","90","","120","","295.96","0.11","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B2 Be2 F K O6 Sr -","- B2 Be2 F K O6 Sr -","- B4 Be4 F2 K2 O12 Sr2 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0392","0.0302","","","0.0603","0.0612","","","","","","2.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001981","7.27159","","7.52962","","7.9625","","89.5496","","91.0516","","63.0123","","388.361","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","1","0.5","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001982","5.45338","","7.51205","","5.33977","","108.606","","95.8897","","107.392","","193.039","","","","","","","","","","","","","5","P 1","P 1","1","","","","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","1","1","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""