# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T16:31:35+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 = 46 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
"9007497","4.2685","","4.2685","","4.2685","","90","","90","","90","","77.772","","","","","","","","","","","","Synthetic","2","P n -3 m :1","P 4n 2 3 -1n","224","","","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0416667","","Kirfel, A.; Eichhorn, K.","Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset.","Acta Crystallographica, Section A","1990","46","4","271","284","10.1107/S0108767389012596","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007498","4.757","","4.757","","12.9877","","90","","90","","120","","254.524","","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Kirfel, A.; Eichhorn, K.","Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O","Acta Crystallographica, Section A","1990","46","4","271","284","10.1107/S0108767389012596","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007499","10.12","","10.12","","2.96","","90","","90","","90","","303.147","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","3","I 4/m","-I 4","87","","","Ankangite","- Ba0.4 O8 Ti4 -","- Ba0.4 O8 Ti4 -","- Ba0.8 O16 Ti8 -","2","0.125","","Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q.","Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra","Acta Crystallographica, Section A","1990","46","11","929","934","10.1107/S0108767390007607","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""