# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T17:21:43+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 'Acta Crystallographica Section A') AND volume = 59 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
"2310708","11.752","","14.534","","3.453","","90","","90","","90","","589.785","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ti2 Se","","- Se Ti2 -","- Se Ti2 -","- Se12 Ti24 -","12","1.5","","Albe, K.; Weirich, T. E.","Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations","Acta Crystallographica Section A","2003","59","1","18","21","10.1107/S0108767302018275","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310709","17.923","","3.455","","9.517","","90","","90","","90","","589.33","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti2 Se","","- Se Ti2 -","- Se Ti2 -","- Se12 Ti24 -","12","1.5","","Albe, K.; Weirich, T. E.","Structure and stability of α- and β-Ti~2~Se. Electron diffraction versus density-functional theory calculations","Acta Crystallographica Section A","2003","59","1","18","21","10.1107/S0108767302018275","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311066","19.969","","19.969","","3.4589","","90","","90","","120","","1194.49","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","Ti2 P","","- P Ti2 -","- P Ti2 -","- P27 Ti54 -","27","2.25","","Gemmi, M.; Zou, X.-D.; Migliori, A.; Hovmöller, S.; Vennstrom, M.; Andersson, Y.","Structure of Ti~2~P solved by three-dimensional electron diffraction data collected with the precession technique and high-resolution electron microscopy","Acta Crystallographica Section A","2003","59","2","117","126","10.1107/S0108767302022559","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""