# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-10-15T07:20:23+02:00
# 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 'American Chemical Society: Symposium Series') 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
"1001431","3.8519","0.0001","3.8519","0.0001","11.8037","0.0004","90","","90","","90","","175.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/6.04)","","- Ba2 Cu3 O6.04 Y -","- Ba2 Cu3 O6.04 Y -","- Ba2 Cu3 O6.04 Y -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001432","3.8657","0.0003","3.8657","0.0003","11.6015","0.0017","90","","90","","90","","173.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (1/2/3/7.3)","","- Ba2 Cu3 O7.34 Y -","- Ba2 Cu3 O7.34 Y -","- Ba2 Cu3 O7.34 Y -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001433","3.9024","0.0002","3.9024","0.0002","11.6908","0.0009","90","","90","","90","","178","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Lanthanum barium copper oxide (1.5/1.5/3/7.4)","","- Ba1.5 Cu3 La1.5 O7.36 -","- Ba1.5 Cu3 La1.5 O7.36 -","- Ba1.5 Cu3 La1.5 O7.36 -","1","0.0625","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001434","3.8687","0.0002","9.915","0.0002","11.7477","0.0008","90","","90","","90","","450.6","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Neodymium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 Nd O6.85 -","- Ba2 Cu3 Nd O6.85 -","- Ba2 Cu3 Nd O6.85 -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001435","3.8179","0.0001","3.8801","0.0002","11.6655","0.0006","90","","90","","90","","172.8","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yttrium barium copper oxide (1/2/3/6.9)","","- Ba2 Cu3 O6.92 Y -","- Ba2 Cu3 O6.92 Y -","- Ba2 Cu3 O6.92 Y -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001436","3.8123","0.0002","3.8756","0.0002","11.6576","0.0007","90","","90","","90","","172.2","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Erbium barium copper oxide (1/2/3/6.99)","","- Ba2 Cu3 Er O6.99 -","- Ba2 Cu3 Er O6.99 -","- Ba2 Cu3 Er O6.99 -","1","0.125","","Torardi, C C; McCarron, E M; Subramanian, M A; Horowitz, H S; Michel, J B; Sleight, A W; Cox, D E","Structure-Property Relationships for RBa~2~Cu~3~O~x~ Phases","American Chemical Society: Symposium Series","1987","351","","152","163","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""