# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T17:38:34+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 1 1 2/b' 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
"1534964","13.325","","11.67","","5.016","","90","","90","","89.58","","779.981","","","","","","","","","","","","","5","I 1 1 2/b","-I 2b","15","","Li Ho3 (Ge O4)2 F2","","- F2 Ge2 Ho3 Li O8 -","- F2 Ge2 Ho3 Li O8 -","- F8 Ge8 Ho12 Li4 O32 -","4","0.5","","Malinovskii, Yu.A.; Bondareva, O.S.","Synthesis and crystal structure of LiHo3(GeO4)2F2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","209186","2020-10-21","18:00:00",""
"2009643","15.968","0.002","17.035","0.003","6.453","0.001","90","","90","","90.75","0.01","1755.2","0.5","293","","","","","","","","","","","3","I 1 1 2/b","-I 2b","","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","1","OH1029","Ohishi, H.; Tsujibo, H.; Inoue, M.; Inamori, Y.; Ishida, N.","Stable conformations of hinokitiol and tropolone","Acta Crystallographica Section C","1994","50","4","587","589","10.1107/S0108270193008133","","","1.5418","CuKα","","","0.0564","","","0.0576","","","","","1.232","1.232","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"4002091","6.56198","0.00018","16.4171","0.0006","13.1717","0.0007","90","","90","","90.3983","0.0023","1418.94","0.1","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.16881","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002097","6.55814","0.00017","16.425","0.0006","13.1592","0.0006","90","","90","","90.5028","0.0023","1417.42","0.09","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.24379","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002102","6.56677","0.00019","16.3971","0.0007","13.2021","0.0008","90","","90","","90.139","0.005","1421.54","0.11","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.12471","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002121","6.55591","0.00013","16.4362","0.0004","13.1423","0.0004","90","","90","","90.4875","0.0015","1416.09","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.26754","","2.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002122","6.55388","0.00012","16.439","0.0004","13.1379","0.0004","90","","90","","90.5441","0.0014","1415.4","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.24821","","2.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002124","6.55253","0.00014","16.4362","0.0004","13.1417","0.0005","90","","90","","90.5819","0.0016","1415.27","0.07","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.25215","","3.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002125","6.5622","0.00015","16.4151","0.0005","13.1768","0.0006","90","","90","","90.2748","0.0018","1419.38","0.08","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.32016","","2.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002126","6.55277","0.00013","16.4391","0.0004","13.1381","0.0004","90","","90","","90.5749","0.0015","1415.19","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.23244","","2.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4343730","7.649","","44.44","","7.139","","90","","90","","91.3","","2426.07","","","","","","","","","","","","","2","I 1 1 2/b","-I 2b","15","","Sm6 Br13","","- Br13 Sm6 -","- Br13 Sm6 -","- Br52 Sm24 -","4","0.5","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344203","5.23874","0.00001","5.26635","0.00001","11.46319","0.00002","90","","90","","91.1511","0.0001","316.195","0.001","293","","293","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- Ca Eu2 O16 W4 -","- Ca Eu2 O16 W4 -","- Ca Eu2 O16 W4 -","1","0.125","","Abakumov, Artem M.; Morozov, Vladimir A.; Tsirlin, Alexander A.; Verbeeck, Johan; Hadermann, Joke","Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.","Inorganic chemistry","2014","","","140821103327002","","10.1021/ic5015412","powder diffraction","x-ray","0.39996","","","0.0504","0.0504","","0.05","0.05","","","","1.78","","","","","","","has coordinates","288070","2023-12-06","12:54:11",""
"7211170","10.3301","0.001","10.2174","0.0011","26.267","0.003","90","","90","","93.932","0.008","2765.9","0.5","180","2","180","2","","","","","","","","5","I 1 1 2/b","-I 2b","15","","","","- C24 H17.5 Co2 O8.75 Zn -","- C24 H16 Co2 O8.75 Zn -","- C96 H64 Co8 O35 Zn4 -","4","0.5","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0947","0.0687","","","0.1961","0.2108","","","","","","1.005","","","","has coordinates","209504","2020-10-21","18:00:00",""
"9013436","5.2146","","5.0842","","11.7063","","90","","90","","90.394","","310.351","","","","4.5","","","","","","","","Synthetic","3","I 1 1 2/b","-I 2b","15","","","Clinobisvanite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.","Crystal growth and structure of BiVO4 Sample: T = 4.5 K","Materials Research Bulletin","1979","14","","1571","1581","10.1016/0025-5408(72)90227-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013437","5.1935","","5.0898","","11.6972","","90","","90","","90.387","","309.195","","","","295","","","","","","","","Synthetic","3","I 1 1 2/b","-I 2b","15","","","Clinobisvanite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.","Crystal growth and structure of BiVO4 Sample: T = 295 K","Materials Research Bulletin","1979","14","","1571","1581","10.1016/0025-5408(72)90227-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""