# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T13:24:26+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 'Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry') AND volume = 31 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
"2106697","8.1344","","8.2019","","6.8683","","96.238","","113.355","","106.192","","391.317","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca2 V2 O7 (H2 O)2","","- Ca2 H4 O9 V2 -","- Ca2 H4 O9 V2 -","- Ca4 H8 O18 V4 -","2","1","","Konnert, Judith A.; Evans, Jr., Howard T.","Calcium divanadate dihydrate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","11","2688","2690","10.1107/s0567740875008497","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2106703","6.895","","11.9536","","34.518","","90","","90","","90","","2844.98","","","","","","","","","","","","","2","F 1 d 1","C -2yc (x+1/2*z,y,1/2*z)","9","","","","- Fe11 S12 -","- Fe11 S12 -","- Fe88 S96 -","8","","","Koto, K.; Morimoto, N.; Gyobu, A.","The superstructure of the intermediate pyrrhotite. I. Partially disordered distribution of metal vacancy in the 6C type, Fe~11~S~12~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1975","31","12","2759","2764","10.1107/s0567740875008849","","","","","","","","","","","","","","","","","","","","","has coordinates","278039","2022-09-21","12:15:31",""