# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T09:50:35+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 = 15 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
"4000233","12.801","0.002","9.3375","0.0014","6.5081","0.001","90","","90","","90","","777.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 Cr F3 N2 O3 P -","- C2 H11 Cr F3 N2 O3 P -","- C8 H44 Cr4 F12 N8 O12 P4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","","0.71073","mokα","","0.0885","0.0566","","","0.117","0.1274","","","","","","0.879","","","","has coordinates","270059","2021-10-23","02:40:01",""
"4000234","12.809","0.002","9.518","0.0014","6.4403","0.0013","90","","90","","90","","785.2","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 N2 O3 P V -","- C2 H11 F3 N2 O3 P V -","- C8 H44 F12 N8 O12 P4 V4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","x-ray","0.71073","MoKα","","0.1695","0.0603","","","0.1064","0.1262","","","","","","0.856","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000270","6.465","0.001","15.571","0.003","10.656","0.002","90","","90.24","0.03","90","","1072.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B5 Ce H7 N O15 -","- B5 Ce N O15 -","- B20 Ce4 N4 O60 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0635","0.0557","","","0.1282","0.131","","","","","","1.038","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000271","9.871","0.002","16.696","0.003","7.716","0.002","90","","90.12","0.03","90","","1271.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B9 H6 Nd O18 -","- B9 Nd O18 -","- B36 Nd4 O72 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0313","0.0235","","","0.0563","0.0579","","","","","","0.846","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000272","6.4418","0.00014","11.68883","0.00026","8.17062","0.00018","90","","105.167","0.0008","90","","593.79","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B5 La O9 -","- B20 La4 O36 -","- B20 La4 O36 -","","","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","powder diffraction","","","","","","","","","","","","","2.31","","","","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000273","9.86","0.002","14.131","0.003","7.94","0.002","90","","89.79","0.03","90","","1106.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B8 H5 O16 Pr -","- B8 O16 Pr -","- B32 O64 Pr4 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0498","0.0412","","","0.1099","0.1134","","","","","","1.051","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000278","13.702","0.001","16.163","0.002","13.893","0.001","90","","90.39","0.01","90","","3076.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 O6 W -","- C36 H30 O6 W -","- C144 H120 O24 W4 -","4","1","","Cross, Warren B.; Parkin, Ivan P.; O'Neill, Shane A.; Williams, Paul A.; Mahon, Mary F.; Molloy, Kieran C.","Tungsten Oxide Coatings from the Aerosol-Assisted Chemical Vapor Deposition of W(OAr)6 (Ar = C6H5, C6H4F-4, C6H3F2-3,4); Photocatalytically Active γ-WO3 Films","Chemistry of Materials","2003","15","14","2786","2796","10.1021/cm020390j","","","0.71069","","","0.0889","0.0392","","0.1254","0.0952","","","","1.014","0.989","0.989","","","","","has coordinates","275258","2022-05-09","03:14:07",""
"4000300","9.4111","0.0015","9.1066","0.0015","9.695","0.0015","90","","117.272","0.003","90","","738.5","0.2","173","2","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","02189a","","","- C H7 N O8 P2 Sc -","- C H7 N O8 P2 Sc -","- C4 H28 N4 O32 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","0.0377","0.032","","","0.0854","0.0884","","","","","","1.081","","","","has coordinates","282548","2023-04-10","20:38:56",""
"4000301","5.3048","0.0011","8.823","0.0018","14.779","0.003","90","","95.685","0.005","90","","688.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H5 O9 P2 Sc -","- H5 O9 P2 Sc -","- H20 O36 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.71073","MoKα","","0.0584","0.0433","","","0.0927","0.0963","","","","","","0.977","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000302","5.4429","0.0008","10.2513","0.0015","8.9094","0.0011","90","","90.253","0.007","90","","497.11","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 O6 P Sc -","- O6 P Sc -","- O24 P4 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Locality: synthetic","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.6845","synchrotron","","0.0655","0.063","","","0.167","0.1697","","","","","","1.127","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000324","8.344","0.003","10.043","0.003","12.731","0.004","82.65","0.03","88.36","0.03","74.72","0.02","1020.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","","Chiu, Ching-Wen; Chow, Tahsin J.; Chuen, Chang-Hao; Lin, Hsiu-Mei; Tao, Yu-Tai","Bisindolylmaleimides as Red Electroluminescence Materials","Chemistry of Materials","2003","15","23","4527","4532","10.1021/cm0303890","","x-ray","0.71073","MoKα","","0.1234","0.0597","","","0.1699","0.2097","","","","","","1.044","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000328","16.7705","0.0001","16.7705","0.0001","16.7705","0.0001","90","","90","","90","","4716.7","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C24 H118 Al6 Fe3 N16 O65 P12 -","- C24 Al6 Fe3 N16 O65 P12 -","- C48 Al12 Fe6 N32 O130 P24 -","2","0.0416667","","Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard","Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74)","Chemistry of Materials","2003","15","24","4590","4597","10.1021/cm034535d","","","0.71073","MoKα","","0.0328","0.0327","","","0.0991","0.0993","","","","","","1.252","","","","has coordinates","178243","2020-10-21","18:00:00",""
"4000339","17.0426","0.0011","9.3703","0.0005","16.1975","0.0008","90","","96.894","0.003","90","","2567.9","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C48 H116 B8 Cl4 N16 O68 P16 Zn8 -","2","0.5","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Borrmann, Horst; Cardoso Gil, Raul; Kniep, Rüdiger","(C6H14N2){Zn[ZnB2P4O15(OH)2]·(C6H13N2)Cl}: A new templated zincoborophosphate","Chemistry of Materials","2003","15","26","4930","4935","10.1021/cm0311224","","","0.71073","MoKα","","0.0879","0.064","","","0.1153","0.1229","","","","","","1.149","","","","has coordinates","198539","2020-10-21","18:00:00",""
"4001635","10.42002","0.00013","10.45229","0.00017","11.62209","0.00017","90","","90","","90","","1265.8","0.03","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 N O9 P2 Zn -","- C5 H15 N O9 P2 Zn -","- C20 H60 N4 O36 P8 Zn4 -","4","1","","Simon-Masseron, Angélique; Paillaud, Jean-Louis; Patarin, Joël","Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct Synthesis and Reversible Dehydration of the Zincophosphate Mu-19","Chemistry of Materials","2003","15","4","1000","1005","10.1021/cm021330g","powder diffraction","x-ray","1.5406","","","","","","","","","0.05691","","2.52","","","","","","","has coordinates","218970","2020-10-21","18:00:00",""
"4001636","7.448","0.0005","7.448","","7.448","","90","","90","","90","","413.16","0.03","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2 O12 Sb2 -","- Ca Cu3 Ga2 O12 Sb2 -","- Ca2 Cu6 Ga4 O24 Sb4 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001637","7.46558","0.00016","7.46558","","7.46558","","90","","90","","90","","416.093","0.009","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca2 Cu6 Ga4.04 O24 Ta4.04 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001638","19.72","0.002","8.9762","0.001","21.36","0.002","90","","102.607","0.002","90","","3689.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","01354","","","- C20 H44 B4 F16 Li4 O10 -","- C20 H44 B4 F15.96 Li4 O10 -","- C80 H176 B16 F63.84 Li16 O40 -","4","1","","Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G.","Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II)","Chemistry of Materials","2003","15","24","4685","","10.1021/cm034352r","","","0.71073","MoKα","","0.0635","0.042","","","0.1009","0.1145","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001898","4.574","0.001","5.752","0.001","2.808","0.001","90","","90","","90","","73.88","0.03","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001899","4.095","0.003","4.095","0.003","4.095","0.003","90","","90","","90","","68.67","0.09","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium Manganese Oxide (0.05/0.96/2)","","- Li0.05 Mn0.96 O2 -","- Mn0.96 O2 -","- Mn1.92 O4 -","2","0.0104167","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176334","2020-10-21","18:00:00",""
"9012923","8.603","","15.476","","16.504","","90","","96.877","","90","","2181.53","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 N4 O21 P4 Sc3 -","- C5 H18 N4 O21 P4 Sc3 -","- C20 H72 N16 O84 P16 Sc12 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014483","5.5625","","15.5495","","5.5138","","90","","90","","90","","476.911","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014531","5.5428","","15.5632","","5.5094","","90","","90","","90","","475.261","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na8 Nb7.2 O23.6004 Ti0.8 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015148","5.5396","","15.5705","","5.5087","","90","","90","","90","","475.149","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.85 O2.925 Ti0.15 -","- Na Nb0.85 O2.925 Ti0.15 -","- Na8 Nb6.8 O23.4 Ti1.2 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015824","5.5303","","15.5677","","5.5072","","90","","90","","90","","474.137","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.8 O2.9 Ti0.2 -","- Na Nb0.8 O2.89995 Ti0.2 -","- Na8 Nb6.4 O23.1996 Ti1.6 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016224","5.5528","","15.5597","","5.514","","90","","90","","90","","476.409","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.95 O2.975 Ti0.05 -","- Na Nb0.95 O2.97495 Ti0.05 -","- Na8 Nb7.6 O23.7996 Ti0.4 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""