# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:14:50+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 'Physical Chemistry Chemical Physics') AND volume = 16 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
"7221623","17.323748","0.00007","17.323748","0.00007","7.000171","0.000036","90","","90","","120","","1819.38","0.014","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","Ca2Al3O6F","- Al6 Ca4 F2 O12 -","- Al6 Ca4 F2.0001 O12 -","- Al36 Ca24 F12.0006 O72 -","6","0.333333","","Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong","Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy","Physical Chemistry Chemical Physics","2014","16","13","5952","","10.1039/C3CP53816H","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.445","3.885","","","1.971","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""