# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:45:27+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 = 10 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
"4001657","3.9101","0.0001","3.9101","0.0001","9.4758","0.0006","90","","90","","90","","144.874","0.011","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","4","P 4/m m m","-P 4 2","123","Ammonium tetracoppertrisulfide","","","- Cu4 H4 N S3 -","- Cu4 H2 N S3 -","- Cu4 H2 N S3 -","1","0.0625","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0334","0.0274","","0.0701","0.0661","","","","1.072","1.091","1.091","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001658","3.94","0.0004","3.94","0.0004","6.523","0.0013","90","","90","","120","","87.69","0.02","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","3","P -3 m 1","-P 3 2""","164","calcium copper sulfide","","","- Ca Cu2 S2 -","- Ca Cu2 S2 -","- Ca Cu2 S2 -","1","0.0833333","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0597","0.0463","","0.139","0.1283","","","","1.128","1.153","1.153","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001840","6.8967","0.0007","6.8967","0.0007","17.166","0.002","90","","90","","90","","816.49","0.15","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Er H5 O10 S2 -","- Er H5 O10 S2 -","- Er4 H20 O40 S8 -","4","0.125","","Wickleder, Mathias S.","Synthesis, Crystal Structure, and Thermal Behavior of the Rare Earth Sulfates (H5O2)M(SO4)2(M = Ho, Er, Y)","Chemistry of Materials","1998","10","10","3212","","10.1021/cm980301w","","","0.71073","MoKα","","0.0126","0.0122","","0.0356","0.0353","","","","1.042","1.04","1.04","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4001893","8.1484","0.0004","8.1484","0.0004","8.1484","0.0004","90","","90","","90","","541.02","0.05","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.27/1.73/4.06)","","- Li1.24 Mn1.72 O4 -","- Li1.24 Mn1.72 O4 -","- Li9.92 Mn13.76 O32 -","8","0.0416667","","Ammundsen, Brett; Jones, Deborah J.; Rozière, Jacques; Berg, Helena; Tellgren, Roland; Thomas, John O.","Ion exchange in manganese dioxide spinel: proton, deuteron, and lithium sites determined from neutron powder diffraction data","Chemistry of Materials","1998","10","6","1680","1687","10.1021/cm9800478","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000177","6.1664","0.0001","8.8366","0.0003","11.5435","0.0004","90","","103.39","0.001","90","","611.91","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.","Charge Density Study of the Polymorphs of p-Nitrophenol","Chemistry of Materials","1998","10","","3498","3505","10.1021/cm980277m","","","","","","","","","","","","","","","","","","","","","has coordinates","178248","2020-10-21","18:00:00",""
"6000394","9.526","","9.526","","3.048","","90","","90","","90","","276.59","","","","","","","","","","","","","3","P 4/m b m","","","","","","- B2 Ir5 Sc3 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000395","9.27","","9.27","","2.968","","90","","90","","90","","255.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Be Ir5 Sc2 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000396","9.329","","9.329","","3.103","","90","","90","","90","","270.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Ir5 Sc2 Ti -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000397","6.914","","6.914","","17.246","","90","","90","","90","","824.42","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 Ho O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000398","6.8967","","6.8967","","17.166","","90","","90","","90","","816.49","","","","","","","","","","","","","4","I 41/a m d","","","","","","- Er H5 O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000399","6.8875","","6.8875","","17.159","","90","","90","","90","","813.98","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 O10 S2 Y -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000410","5.9985","","7.0711","","7.414","","90","","90","","90","","314.47","","","","","","","","","","","","","3","P n n m","","","","","","- C4 Co N6 -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000411","5.9736","","7.032","","7.2942","","90","","90","","90","","306.4","","","","","","","","","","","","","3","P n n m","","","","","","- C4 N6 Ni -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000610","11.037","","5.971","","19.703","","90","","101.46","","90","","1272.58","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Bi Ca3 O22 Sr8 -","","","","","","Luhrs, C. C.; Molins, E.; Van, Tendeloo G; Beltran-Porter, D.; Fuertes, A.","Crystal structure of Bi6Sr8-xCa3+xO22 (-0.5 <= x <= 1.7): a mixed valence bismuth oxide related to perovskite","Chemistry of Materials","1998","10","","1875","1881","10.1021/cm9800377","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000683","12.27","","12.27","","11.04","","90","","90","","90","","1662.1","","","","","","","","","","","","","3","","","","","","","- Bi17 O33 V3 -","","","","","","Pang, G. S.; Feng, S. H.; Tang, Y. C.; Tan, C. H.; Xu, R. R.","Hydrothermal synthesis, characterization, and ionic conductivity of vanadium-stabilized Bi~17~V~3~O~33~ with fluorite-related superlattice structure","Chemistry of Materials","1998","10","","2446","2449","10.1021/cm9801284","","","","","","","","","","","","","","","","","","","","","","203841","2020-10-21","18:00:00",""