# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-01T21:53:11+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 'Crystal Structure Communications') AND volume = 1 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
"1541787","8.646","","7.329","","13.884","","90","","129.17","","90","","682.072","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Ba2 K (P O3)5","","- Ba2 K O15 P5 -","- Ba2 K O15 P5 -","- Ba4 K2 O30 P10 -","2","1","","Martin, C.; Tordjman, I.; Mitschler, A.","Barium potassium polyphosphate, Ba2 K (P O3)5","Crystal Structure Communications","1972","1","","349","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541870","9.27","","12.39","","6.22","","90","","105.6","","90","","688.083","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tl2 Cu (H2 O)6 (S O4)2","","- Cu H12 O14 S2 Tl2 -","- Cu H12 O14 S2 Tl2 -","- Cu2 H24 O28 S4 Tl4 -","2","0.5","","Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L.","Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron)","Crystal Structure Communications","1972","1","","371","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541871","9.42","","12.785","","6.28","","90","","105.9","","90","","727.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cs2 (Cu (H2 O)6) (S O4)2","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","","Shields, K.G.; Kennard, C.H.L.","Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron)","Crystal Structure Communications","1972","1","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541875","7.51","","9.852","","7.461","","105.23","","118.54","","72.35","","457.519","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba Ti6 O13","","- Ba O13 Ti6 -","- Ba O13 Ti6 -","- Ba2 O26 Ti12 -","2","1","","Tillmanns, E.","Barium hexatitanate, Ba Ti6 O13","Crystal Structure Communications","1972","1","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9012780","9.066","","12.13","","6.149","","90","","104.4","","90","","654.965","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Cyanochroite","- Cu H12 K2 O14 S2 -","- Cu H12 K2 O14 S2 -","- Cu2 H24 K4 O28 S4 -","2","0.5","","Robinson, D. J.; Kennard, C. H. L.","Potassium hexa-aquacopper(II) sulfate, CuH12K2O14S2 (neutron)","Crystal Structure Communications","1972","1","","185","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014478","7.459","","5.034","","15.27","","90","","107.33","","90","","547.339","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- Li Nb3 O8 -","- Li Nb3 O8 -","- Li4 Nb12 O32 -","4","1","","Gatehouse, B. M.; Leverett, P.","Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite","Crystal Structure Communications","1972","1","","83","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""