# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:28:42+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 'Canadian Journal of Chemistry') AND volume = 54 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
"1527359","9.222","","5.835","","14.698","","90","","105.84","","90","","760.872","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca K2 As2 O7","","- As2 Ca K2 O7 -","- As2 Ca K2 O7 -","- As8 Ca4 K8 O28 -","4","1","","Faggiani, R.; Calvo, C.","Crystal structure of Ca K2 As2 O7 And Cd K2 P2 O7","Canadian Journal of Chemistry","1976","54","","3319","3324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527360","9.737","","5.548","","12.766","","90","","106.5","","90","","661.231","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd K2 P2 O7","","- Cd K2 O7 P2 -","- Cd K2 O7 P2 -","- Cd4 K8 O28 P8 -","4","0.5","","Faggiani, R.; Calvo, C.","Crystal structure of Ca K2 As2 O7 And Cd K2 P2 O7","Canadian Journal of Chemistry","1976","54","","3319","3324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538395","11.758","","6.486","","13.659","","90","","104.81","","90","","1007.06","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(N H4)4 (P2 O7)","","- H16 N4 O7 P2 -","- H16 N4 O7 P2 -","- H64 N16 O28 P8 -","4","0.5","","Middlemiss, N.; Calvo, C.","Crystal structure of tetraammonium diphosphate, (N H4)4 P2 O7 at 22 C","Canadian Journal of Chemistry","1976","54","","2025","2028","","","","","","","","","","","","","","","","","","","","","","has coordinates","166927","2020-10-21","18:00:00",""
"9009853","5.005","","6.182","","3.74","","90","","90","","90","","115.719","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Cu Se2 -","- Cu Se2 -","- Cu2 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: low-pressure polymorph, marcasite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009854","6.116","","6.116","","6.116","","90","","90","","90","","228.772","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","Krutaite","- Cu Se2 -","- Cu Se2 -","- Cu4 Se8 -","4","0.166667","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma-CuSe, CuSe2, and CuSe2II Note: high-pressure polymorph, pyrite structure","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009855","5.765","","5.765","","5.765","","90","","90","","90","","191.601","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Berzelianite","- Cu1.798 Se -","- Cu1.798 Se -","- Cu7.192 Se4 -","4","0.0208333","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: synthetic","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009856","6.4024","","6.4024","","4.2786","","90","","90","","90","","175.383","","","","","","","","","","","","Beaverlodge Region, Saskatchewan, Canada","2","P -4 21 m","P -4 2ab","113","","","Umangite","- Cu3 Se2 -","- Cu3 Se2 -","- Cu6 Se4 -","2","0.25","","Heyding, R. D.; Murray, R. M.","Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada","Canadian Journal of Chemistry","1976","54","","841","848","10.1139/v76-122","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""