# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2026-01-28T03:20:31+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 = 25 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 "4001713","27.282","0.0009","17.7669","0.0006","18.6716","0.0006","90","","96.77","0.003","90","","8987.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N2 S4 Sn -","- C28 H42 N2 S4 Sn -","- C336 H504 N24 S48 Sn12 -","12","1.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0447","0.0339","","","0.0821","0.0857","","","","","","1.054","","","","has coordinates","218803","2020-10-21","18:00:00","" "4001714","21.936","0.003","7.164","0.0012","21.873","0.002","90","","127.452","0.009","90","","2728.8","0.7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 N2 S4 Sn -","- C20 H42 N2 S4 Sn -","- C80 H168 N8 S16 Sn4 -","4","0.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0715","0.0378","","","0.0601","0.0647","","","","","","0.763","","","","has coordinates","218803","2020-10-21","18:00:00","" "4001715","20.345","0.005","9.597","0.005","34.35","0.005","90","0.005","91.27","0.005","90","0.005","6705","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 N2 S4 Sn -","- C26 H54 N2 S4 Sn -","- C208 H432 N16 S32 Sn8 -","8","2","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0482","0.0318","","","0.0755","0.0927","","","","","","1.016","","","","has coordinates","218803","2020-10-21","18:00:00","" "4001716","9.629","0.0019","9.9","0.002","12.559","0.003","74.57","0.03","84.4","0.03","62.82","0.03","1026.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor–Acceptor–Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1088","0.0891","","","0.2173","0.2348","","","","","","1.112","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35","" "4001717","9.5525","0.0019","9.7452","0.0019","12.66","0.003","73.02","0.03","83.17","0.03","63.39","0.03","1007.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor–Acceptor–Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1126","0.0959","","","0.225","0.2393","","","","","","1.124","","","","has coordinates,has disorder","301811","2025-08-19","19:33:35","" "4001718","8.188","0.0008","7.676","0.0007","8.7944","0.0009","90","","110.57","0.008","90","","517.5","0.09","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al9 K O14 -","- Al9 K O14 -","- Al18 K2 O28 -","2","0.5","","Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L.","Superstructure of Mullite-type KAl9O14","Chemistry of Materials","2013","25","3","496","","10.1021/cm3038476","","","0.71073","MoKα","","0.033","0.0296","","","0.0395","0.04","","","","2.94","2.94","2.83","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001754","11.751","0.002","6.8398","0.0012","18.669","0.003","90","","95.385","0.002","90","","1493.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co N4 O14 S2 -","- C22 H36 Co N4 O14 S2 -","- C44 H72 Co2 N8 O28 S4 -","2","0.5","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal–Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.072","0.0511","","","0.1292","0.1443","","","","","","1.018","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001755","11.7309","0.0015","6.8571","0.0009","18.701","0.002","90","","95.331","0.002","90","","1497.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 O7 S Zn0.5 -","- C11 H18 N2 O7 S Zn0.5 -","- C44 H72 N8 O28 S4 Zn2 -","4","1","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal–Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.041","0.0334","","","0.0894","0.0952","","","","","","1.064","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001756","16.666","0.002","16.666","0.002","7.0012","0.0014","90","","90","","120","","1684.1","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C15 H16 N2 Ni O6 -","- C15 H15 N2 Ni O6 -","- C45 H45 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.0975","0.0866","","","0.2182","0.2362","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001757","16.586","0.005","16.586","0.005","18.124","0.007","90","","90","","120","","4318","2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C31.67 H31.67 N4 Ni2 O12.67 -","- C31.6 H28.4 N4 Ni2 O12.6 -","- C94.8 H85.2 N12 Ni6 O37.8 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.2403","0.1172","","","0.2531","0.3168","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001758","16.634","0.002","16.634","0.002","18.194","0.004","90","","90","","120","","4359.7","1.2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C34 H28 N4 Ni2 O12 -","- C34 H26 N4 Ni2 O12 -","- C102 H78 N12 Ni6 O36 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.1403","0.0945","","","0.2337","0.27","","","","","","0.959","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001759","10.498797","0.000034","14.91631","0.00005","8.846944","0.000032","90","","106.057","0.0002","90","","1331.41","0.008","298","","298","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 F N2 O24 Si12 -","- C7 F N2 O24 Si12 -","- C14 F2 N4 O48 Si24 -","2","0.5","","Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A.","Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW","Chemistry of Materials","2013","25","5","729","","10.1021/cm303709e","powder diffraction","x-ray","1.55","","","","","","","","","0.06182","","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001760","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0222","0.0213","","","0.058","0.0588","","","","1.83","1.83","1.82","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001761","9.5567","","9.5567","","7.0563","","90","","90","","120","","558.115","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.772 O26 Si5.5 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0483","0.047","","","0.1217","0.1222","","","","3.27","3.27","3.22","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001762","9.5537","","9.5537","","7.0528","","90","","90","","120","","557.488","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.782 O26 Si5 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0372","0.0364","","","0.107","0.1072","","","","3.22","3.22","3.2","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001763","9.5604","","9.5604","","7.0622","","90","","90","","120","","559.014","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0276","0.0272","","","0.0873","0.0875","","","","3.05","3.05","3.04","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001764","9.5567","0.0001","9.5567","0.0001","7.0189","0.0001","90","","90","","120","","555.157","0.011","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0259","0.0253","","","0.0699","0.0702","","","","1.87","1.87","1.86","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001765","9.5516","0.0002","9.5516","0.0002","7.0288","0.0002","90","","90","","120","","555.35","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.508 O26 Si5.5 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0233","0.0221","","","0.0703","0.0707","","","","2.32","2.32","2.3","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001766","8.771","0.009","15.632","0.017","17.623","0.02","71.72","0.02","86.96","0.02","86.73","0.03","2289","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Cl14 Fe -","- C39 H27 Cl14 Fe -","- C78 H54 Cl28 Fe2 -","2","1","","Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume","Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength","Chemistry of Materials","2013","25","5","808","","10.1021/cm400147p","","","0.71073","MoKα","","0.33","0.1698","","","0.3785","0.4274","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001767","8.33406","0.00004","8.33406","0.00004","8.33406","0.00004","90","","90","","90","","578.855","0.005","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 O4 Zn -","- Ga2 O4 Zn -","- Ga16 O32 Zn8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0094","0.0094","","0.0172","0.0172","","","","2.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001768","8.33665","0.00005","8.33665","0.00005","8.33665","0.00005","90","","90","","90","","579.395","0.006","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga14.4 Ge0.8 O32 Zn8.8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2255","","","0.0149","0.0149","","0.0246","0.0245","","","","3.02","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001769","8.34115","0.00004","8.34115","0.00004","8.34115","0.00004","90","","90","","90","","580.334","0.005","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.5 Ge0.25 O4 Zn1.25 -","- Ga1.4999 Ge0.251 O4 Zn1.25 -","- Ga11.9992 Ge2.008 O32 Zn10 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0101","0.0101","","0.0189","0.0189","","","","2.33","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001770","8.35049","0.00006","8.35049","0.00006","8.35049","0.00006","90","","90","","90","","582.285","0.007","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga Ge0.5 O4 Zn1.5 -","- Ga Ge0.5 O4 Zn1.5 -","- Ga8 Ge4 O32 Zn12 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0108","0.0108","","0.0185","0.0185","","","","2.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001771","11.5128","0.0002","11.5128","0.0002","8.9087","0.0002","90","","90","","90","","1180.8","0.04","298","2","298","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H8 Dy K O12 -","- C4 H8 Dy K O12 -","- C16 H32 Dy4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Rajeswaran, Bharath; Chakraborty, Anindita; Sundaresan, A.; Maji, Tapas Kumar","Bimodal Magneto-Luminescent Dysprosium (DyIII)-Potassium (KI)-Oxalate Framework: Magnetic Switchability with High Anisotropic Barrier and Solvent Sensing","Chemistry of Materials","2013","25","9","1673","","10.1021/cm400116h","","","0.71073","MoKα","","0.0205","0.0193","","","0.0405","0.0415","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001772","13.0357","0.0007","13.035","0.0007","9.16771","0.00019","90","","90","","90","","1557.78","0.12","298","","","","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al24 Ca16 O64 S4 -","4","1","","Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.","Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite","Chemistry of Materials","2013","25","9","1680","","10.1021/cm400129z","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","250899","2020-10-21","18:00:00","" "4001773","6.4351","0.0018","13.119","0.004","14.261","0.005","83.81","0.02","88.486","0.017","83.745","0.016","1189.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(tert-butyltelluro)propane-bis(trichlorogallium(III))","","- C11 H24 Cl6 Ga2 Te2 -","- C11 H24 Cl6 Ga2 Te2 -","- C22 H48 Cl12 Ga4 Te4 -","2","1","","George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films","Chemistry of Materials","2013","25","9","1829","","10.1021/cm400382j","","","0.71073","MoKα","","0.0946","0.0697","","","0.0983","0.1084","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001774","18.6563","0.0002","18.6563","0.0002","18.6563","0.0002","90","","90","","90","","6493.47","0.12","123","2","123","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0284","0.0207","","","0.0352","0.0369","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001775","18.7353","0.0003","18.7353","0.0003","18.7353","0.0003","90","","90","","90","","6576.31","0.18","298","2","298","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0205","0.0203","","","0.0549","0.055","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001776","11.708","0.002","11.712","0.002","23.051","0.005","90","","97.28","0.03","90","","3135.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Se6 -","- Cd2 Cs2 In2 Se6 -","- Cd16 Cs16 In16 Se48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0903","0.0496","","","0.0777","0.0882","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001777","12.523","0.003","12.517","0.003","24.441","0.005","90","","97.38","0.03","90","","3799.4","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Te6 -","- Cd2 Cs2 In2 Te6 -","- Cd16 Cs16 In16 Te48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0762","0.0434","","","0.0991","0.1105","","","","","","0.986","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001778","3.6749","0.0004","3.6749","0.0004","16.827","0.004","90","","90","","120","","196.8","0.06","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K1.316 Mg0.658 S4 Sn1.342 -","- K1.32 Mg0.66 S4 Sn1.34 -","- K1.32 Mg0.66 S4 Sn1.34 -","1","0.0416667","","Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.","Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation","Chemistry of Materials","2013","25","10","2116","","10.1021/cm400699r","","","0.4428","synchrotron","","0.0557","0.0437","","","0.1198","0.123","","","","2.51","2.51","2.4","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001779","9.7094","0.0001","9.7094","0.0001","7.1816","0.0001","90","","90","","120","","586.323","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26 Si5.87 -","- La9.5024 O26 Si5.8728 -","- La9.5024 O26 Si5.8728 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Oyabu, Masayuki; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Si-Deficient Apatite-Type Lanthanum Silicate","Chemistry of Materials","2013","25","10","2154","","10.1021/cm400892p","","","0.71073","MoKα","","0.0267","0.0156","","","0.0173","0.0185","","","","1.04","1.04","0.98","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001780","12.132","0.0002","6.0606","0.0001","8.0956","0.0001","90","","90","","90","","595.247","0.016","","","","","","","","","","","","4","P b 21 m","P -2 -2b","26","","","","- Ba2 Fe O5.5 Y -","- Ba2 Fe O5.5 Y -","- Ba8 Fe4 O22 Y4 -","4","1","","Luo, Kun; Johnson, Roger D.; Tran, Thao T.; Halasyamani, P. Shiv; Radaelli, Paolo G.; Hayward, Michael A.","Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.","Chemistry of Materials","2013","25","9","1800","","10.1021/cm400364y","","","","","","","","","","","","","","","","","","","","","has coordinates","176427","2020-10-21","18:00:00","" "4001781","14.931","0.003","8.2217","0.0016","6.5989","0.0013","90","","90","","90","","810.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 Se4 Sn -","- Li4 Se4 Sn -","- Li16 Se16 Sn4 -","4","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0517","0.049","","","0.1367","0.139","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001782","12.522","0.003","7.2137","0.0014","7.7692","0.0016","90","","120.96","0.03","90","","601.8","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Li2 Se3 Sn -","- Li2 Se3 Sn -","- Li8 Se12 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0623","0.0623","","","0.1634","0.1634","","","","","","1.117","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001783","12.84","0.003","12.93","0.003","13.274","0.003","90","","90","","90","","2203.8","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li4 O13 Se4 Sn -","- Li4 O13 Se4 Sn -","- Li16 O52 Se16 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0593","0.054","","","0.0882","0.0893","","","","","","1.331","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001784","7.2602","0.0015","9.5887","0.0019","10.496","0.002","77.46","0.03","71.1","0.03","74","0.03","657.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","1","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0536","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001785","13.73","0.0019","13.73","0.0019","11.9","0.002","90","","90","","90","","2243.3","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H62 Li4 O16 Se4 Sn -","- C16 H64 Li4 O16 Se4 Sn -","- C32 H128 Li8 O32 Se8 Sn2 -","2","0.25","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0846","0.086","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4001786","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand","Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries","Chemistry of Materials","2013","25","14","2777","","10.1021/cm400805q","powder diffraction","","0.775192","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001787","18.4852","0.0005","18.4852","0.0005","18.4852","0.0005","90","","90","","90","","6316.4","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Cu Mn7 N48 O5 -","- C36 H12 Cl1.5 Cu6.12 Mn0.6 N48 O6 -","- C72 H24 Cl3 Cu12.24 Mn1.2 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.1441","0.1291","","","0.3587","0.4042","","","","","","1.883","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001788","19.0218","0.0005","19.0218","0.0005","19.0218","0.0005","90","","90","","90","","6882.6","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Fe Mn7 N48 O5 -","- C18 H6 Cl0.75 Fe0.09 Mn2.91 N24 O3 -","- C72 H24 Cl3 Fe0.36 Mn11.64 N96 O12 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1485","0.1384","","","0.3635","0.3865","","","","","","3.309","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001789","18.9153","0.0005","18.9153","0.0005","18.9153","0.0005","90","","90","","90","","6767.7","0.3","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 -","- C36 H12 Cl1.5 Mn6.882 N48 O6 -","- C72 H24 Cl3 Mn13.764 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1676","0.1551","","","0.3978","0.428","","","","","","1.912","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001790","18.8285","0.0004","18.8285","0.0004","18.8285","0.0004","90","","90","","90","","6674.9","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 Zn -","- C18 H6 Cl0.75 Mn0.75 N24 O3 Zn2.61 -","- C72 H24 Cl3 Mn3 N96 O12 Zn10.44 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.2086","0.1991","","","0.494","0.5026","","","","","","4.488","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001791","12.32","0.01","12.32","0.01","3.907","0.001","90","","90","","90","","593","0.7","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","1","0.0625","","Simon, Q.; Dorcet, V.; Boullay, P.; Demange, V.; Députier, S.; Bouquet, V.; Guilloux-Viry, M.","Nanorods of Potassium Tantalum Niobate Tetragonal Tungsten Bronze Phase Grown by Pulsed Laser Deposition","Chemistry of Materials","2013","25","14","2793","","10.1021/cm401018k","","","0.0196","electron","","0.2851","0.2849","","","0.3203","0.3203","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001792","9.1758","0.0013","9.1758","0.0013","9.5879","0.0019","90","","90","","90","","807.3","0.2","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- I4 S Tl6 -","- I4 S Tl6 -","- I8 S2 Tl12 -","2","0.125","","Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection","Chemistry of Materials","2013","25","14","2868","","10.1021/cm401406j","","","0.71073","MoKα","","0.0584","0.048","","","0.0891","0.0912","","","","","","1.388","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001793","8.007","0.003","15.91","0.005","13.916","0.005","90","","101.318","0.004","90","","1738.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 F Lu Na4 O8 -","- C3 F Lu Na4 O9 -","- C24 F8 Lu8 Na32 O72 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0201","0.019","","","0.0367","0.0371","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00","" "4001794","7.073","0.006","29.77","0.02","6.909","0.007","90","","111.924","0.015","90","","1350","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 F2 Lu Na3 O6 -","- C2 F2 Lu Na3 O6 -","- C16 F16 Lu8 Na24 O48 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0439","0.0355","","","0.0967","0.1054","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001795","7.5879","0.0003","7.5879","0.0003","11.5313","0.0009","90","","90","","90","","663.93","0.06","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C4 H4 Lu Na5 O14 -","- C4 H4 Lu Na5 O14 -","- C8 H8 Lu2 Na10 O28 -","2","0.25","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0145","0.0139","","","0.0307","0.0309","","","","","","1.302","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001796","17.534","0.004","6.1084","0.0014","11.285","0.003","90","","95.429","0.016","90","","1203.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F Lu Na2 O6 -","- C2 F Lu Na2 O6 -","- C16 F8 Lu8 Na16 O48 -","8","1","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0305","0.0259","","","0.0655","0.0928","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001797","38.3106","","7.72437","","38.2799","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.5","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001798","38.3106","","38.279869","","7.724372","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 2 m m","P -2 2","25","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.25","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001799","12.0872","0.0007","24.8979","0.0008","21.0015","0.001","90","","90","","90","","6320.3","0.5","293","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba4 Nb2 O9 -","- Ba4 Nb2 O9 -","- Ba96 Nb48 O216 -","24","6","","Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.","Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9","Chemistry of Materials","2013","25","15","3154","","10.1021/cm4014656","","neutron","1.2467","Neutron","","0.0822","0.0669","","","0.0683","0.0696","","","","3.75","3.75","3.48","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001800","25.9981","","26.2767","","26.5511","","90","","90","","90","","18138.2","","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","1","1","","Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.","Competitive I2Sorption by Cu-BTC from Humid Gas Streams","Chemistry of Materials","2013","25","13","2591","","10.1021/cm401762g","","","0.2128","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001801","3.831048","0.000005","3.827977","0.000004","7.724355","0.000008","90","","90","","90","","113.279","0.0002","293","","293","","","","","","","","","4","Pmmm(\a,1/2,0)000(1/2,\b,0)000","","","","","","- Li0.15 Nd0.617 O3 Ti -","","","2","","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","powder diffraction","x-ray","0.3962","","","0.0517","0.045","","0.0235","0.0232","","","","2.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001802","6.44903","0.00005","9.48247","0.00008","10.99331","0.00008","64.8468","0.0004","86.2397","0.0005","73.1333","0.0005","581.05","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe2 Na4 O14 P4 -","- Fe2 Na4 O14 P4 -","- Fe4 Na7.99999 O28 P8 -","2","1","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001803","6.3297","0.0013","9.4646","0.0019","11.1","0.0023","62.6109","0.0006","83.29","0.0007","72.2418","0.0007","562.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","1","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001804","8.9903","0.0008","6.8681","0.0006","5.0441","0.0005","90","","90","","90","","311.45","0.05","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Na O4 P -","- Fe Na O4 P -","- Fe4 Na4 O16 P4 -","4","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001805","7.6635","0.0002","12.7242","0.0005","17.7724","0.0006","90","","90","","90","","1733.02","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Mg Se8 -","- Cs2 Ge3 Mg Se8 -","- Cs8 Ge12 Mg4 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0719","0.0467","","","0.0771","0.0837","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001806","7.2624","0.0004","16.9801","0.0009","12.6231","0.0008","90","","97.706","0.005","90","","1542.58","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Ge3 S8 Zn -","- Cs2 Ge3 S8 Zn -","- Cs8 Ge12 S32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0514","0.0428","","","0.1044","0.1085","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001807","7.5756","0.0005","12.6191","0.001","17.6543","0.0011","90","","90","","90","","1687.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Se8 Zn -","- Cs2 Ge3 Se8 Zn -","- Cs8 Ge12 Se32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.119","0.088","","","0.2048","0.2238","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001808","8.1345","0.0006","13.1145","0.0013","18.8263","0.0019","90","","90","","90","","2008.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Te8 Zn -","- Cs2 Ge3 Te8 Zn -","- Cs8 Ge12 Te32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.1023","0.0614","","","0.1505","0.1711","","","","","","0.9","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001809","7.4192","0.0002","12.5099","0.0004","17.0843","0.0006","90","","90","","90","","1585.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 S8 -","- Cd Cs2 Ge3 S8 -","- Cd4 Cs8 Ge12 S32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0415","0.0318","","","0.0529","0.0551","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001810","7.7048","0.0003","12.6822","0.0006","17.8208","0.0007","90","","90","","90","","1741.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 Se8 -","- Cd Cs2 Ge3 Se8 -","- Cd4 Cs8 Ge12 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0622","0.0502","","","0.1045","0.1088","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001811","7.9055","0.0003","12.7661","0.0005","18.474","0.0006","90","","90","","90","","1864.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Mg Se8 Sn3 -","- Cs2 Mg Se8 Sn3 -","- Cs8 Mg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0643","0.0489","","","0.0991","0.104","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001812","7.8146","0.0003","12.6534","0.0004","18.3747","0.0005","90","","90","","90","","1816.91","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Se8 Sn3 Zn -","- Cs2 Se8 Sn3 Zn -","- Cs8 Se32 Sn12 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0631","0.047","","","0.0901","0.0959","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001813","7.9335","0.0004","12.7336","0.0009","18.5387","0.001","90","","90","","90","","1872.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Se8 Sn3 -","- Cd Cs2 Se8 Sn3 -","- Cd4 Cs8 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0857","0.0621","","","0.1267","0.137","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001814","7.6672","0.0004","12.3405","0.001","17.9011","0.0012","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg S8 Sn3 -","- Cs2 Hg S8 Sn3 -","- Cs8 Hg4 S32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0928","0.0844","","","0.1996","0.2075","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001815","7.9196","0.0003","12.6657","0.0007","18.5375","0.0009","90","","90","","90","","1859.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg Se8 Sn3 -","- Cs2 Hg Se8 Sn3 -","- Cs8 Hg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0649","0.0498","","","0.1047","0.1122","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001816","13.527","0.004","13.527","0.004","4.1422","0.0012","90","","90","","90","","757.9","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.75 Dy3 Fe Mg0.25 Si2 -","- Al3.75 Dy2.976 Fe Mg0.25 Si2 -","- Al15 Dy11.904 Fe4 Mg Si8 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0155","0.0131","","","0.022","0.0223","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001817","13.562","0.004","13.562","0.004","4.1201","0.0013","90","","90","","90","","757.8","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Er3 Fe Ge2 Mg0.5 -","- Al3.5 Er2.9648 Fe Ge2 Mg0.5 -","- Al14 Er11.8592 Fe4 Ge8 Mg2 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0156","0.0152","","","0.0292","0.0293","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001818","13.6799","0.0011","13.6799","0.0011","4.1507","0.0003","90","","90","","90","","776.76","0.1","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Fe Ge2 Mg0.5 Y3 -","- Al3.5 Fe Ge2 Mg0.5 Y2.9788 -","- Al14 Fe4 Ge8 Mg2 Y11.9152 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0231","0.0187","","","0.0393","0.0405","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001819","13.3479","0.0009","13.3479","0.0009","4.0996","0.0003","90","","90","","90","","730.41","0.09","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.72 Fe Mg0.28 Si2 Yb2.77 -","- Al3.5 Fe Mg0.5 Si2 Yb2.714 -","- Al14 Fe4 Mg2 Si8 Yb10.856 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0182","0.0172","","","0.0385","0.0388","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001820","11.433","0.008","11.433","0.008","4.04","0.003","90","","90","","90","","528.1","0.7","296","2","296","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","1","0.0625","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.019","0.017","","","0.0378","0.0383","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001821","7.1634","0.0005","7.3956","0.0005","19.2069","0.0012","93.698","0.004","90.474","0.004","105.266","0.004","979.25","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0982","0.052","","","0.1294","0.1451","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001822","7.0603","0.0003","10.4871","0.0005","10.8766","0.0005","111.528","0.003","93.925","0.003","103.985","0.003","715.84","0.06","100","2","100.04","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0577","0.0484","","","0.1329","0.1415","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001823","18.6953","0.0007","18.6953","0.0007","39.1379","0.0017","90","","90","","120","","11846.6","0.8","100","2","100.02","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C9 H10 B5 Cu O5 -","- C9 H10 B5 Cu O5 -","- C162 H180 B90 Cu18 O90 -","18","","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","1.54178","CuKα","","0.1267","0.1173","","","0.3735","0.3904","","","","","","1.764","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001824","12.0769","0.0003","12.0769","0.0003","12.0769","0.0003","90","","90","","90","","1761.43","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.77 K8 Sn43.23 -","- Cu2.772 K8 Sn43.228 -","- Cu2.772 K8 Sn43.228 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0171","0.0155","","","0.0319","0.0325","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001825","12.0868","0.0008","12.0868","0.0008","12.0868","0.0008","90","","90","","90","","1765.8","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0178","0.0145","","","0.0324","0.0337","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001826","12.1234","0.0006","12.1234","0.0006","12.1234","0.0006","90","","90","","90","","1781.86","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Cu2.69 Sn43.31 -","- Cs8 Cu2.682 Sn43.318 -","- Cs8 Cu2.682 Sn43.318 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0153","0.014","","","0.0285","0.029","","","","","","1.208","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001827","12.0671","0.0004","12.0671","0.0004","12.0671","0.0004","90","","90","","90","","1757.15","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0166","0.0138","","","0.0268","0.0275","","","","","","1.315","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001828","12.0913","0.0005","12.0913","0.0005","12.0913","0.0005","90","","90","","90","","1767.74","0.13","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Rb8 Sn42.48 Zn3.52 -","- Rb8 Sn42.484 Zn3.516 -","- Rb8 Sn42.484 Zn3.516 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0269","0.0176","","","0.0278","0.0306","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001829","12.1239","0.0004","12.1239","0.0004","12.1239","0.0004","90","","90","","90","","1782.08","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Sn42.57 Zn3.43 -","- Cs8 Sn42.568 Zn3.432 -","- Cs8 Sn42.568 Zn3.432 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0106","0.0102","","","0.0212","0.0213","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001830","14.4807","0.0004","4.55923","0.00011","20.7613","0.0006","90","","110.159","0.008","90","","1286.71","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","1.54187","CuKα","","","0.0568","","","","0.1394","","","","","","0.995","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001831","6.729","0.0003","26.7472","0.0012","7.7813","0.0004","90","","90","","90","","1400.49","0.11","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 Se -","- C20 H12 Se -","- C80 H48 Se4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0629","","","","0.1654","","","","","","1.124","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001832","6.9337","0.0017","26.576","0.007","7.5281","0.0018","90","","90","","90","","1387.2","0.6","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0983","","","","0.2875","","","","","","0.992","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001833","12.8934","0.0003","15.642","0.0004","23.0349","0.0005","109.545","0.002","101.108","0.0018","96.454","0.002","4216.64","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C178 H144 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","2","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","1.54184","CuKα","","0.0718","0.0626","","","0.1799","0.1917","","","","","","1.094","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001834","9.8109","0.0014","13.494","0.002","18.885","0.002","100.677","0.004","94.954","0.006","107.203","0.005","2320.3","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C91 H76 B2 Cl2 Cu2 F8 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.0957","0.0709","","","0.2025","0.2315","","","","","","1.066","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001835","9.846","0.003","13.394","0.005","17.194","0.005","95.74","0.014","90.447","0.015","109.394","0.015","2126.1","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 B Cu F7 N3 O P2 -","- C45 H34 B Cu F7 N3 O P2 -","- C90 H68 B2 Cu2 F14 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.135","0.0852","","","0.2467","0.3435","","","","","","1.108","","","","has coordinates","301811","2025-08-19","19:33:35","" "4001836","10.6322","0.0009","10.6322","0.0009","10.6322","0.0009","90","","90","","90","","1201.9","0.18","123","2","123","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4