# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T21:45:33+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') 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
"2310013","8.07","","8.07","","4.69","","90","","90","","120","","264.515","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Actinium bromide","","- Ac Br3 -","- Ac Br3 -","- Ac2 Br6 -","2","0.166667","","Zachariasen, W.H.","Crystal chemical studies of the 5f-Series of elements. I. New structure types","Acta Crystallographica (1,1948-23,1967)","1948","1","","265","268","10.1107/S0365110X48000703","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310015","7.63","","7.63","","4.56","","90","","90","","120","","229.903","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Actinium chloride","","- Ac Cl3 -","- Ac Cl3 -","- Ac2 Cl6 -","2","0.166667","","Zachariasen, W.H.","Crystal chemical studies of the 5f-Series of elements. I. New structure types","Acta Crystallographica (1,1948-23,1967)","1948","1","","265","268","10.1107/S0365110X48000703","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310148","8.653","0.01","8.653","0.01","5.594","0.01","90","","90","","90","","418.8","1","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Cu(I) azide","","- Cu N3 -","- Cu N3 -","- Cu8 N24 -","8","0.5","A00031","Wilsdorf, H.","Die Kristallstruktur des einwertigen Kupferazids, CuN~3~","Acta Crystallographica","1948","1","3","115","118","10.1107/S0365110X48000314","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310852","7.45","","7.45","","6.04","","90","","90","","120","","290.322","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pu Cl6","","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","- Cl6 Cs2 Pu -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. II. The crystal structure of Cs2 Pu Cl6","Acta Crystallographica (1,1948-23,1967)","1948","1","","268","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310873","6.95","","5.95","","7.7","","90","","120.8","","90","","273.505","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Cl","","- Cl H4 N O -","- Cl H4 N O -","- Cl4 H16 N4 O4 -","4","1","","Jerslev, B.","The structure of hydroxylammonium chloride, N H3 O H Cl, and hydroxylammonium bromide, N H3 O H Br","Acta Crystallographica (1,1948-23,1967)","1948","1","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310874","7.29","","6.13","","8.04","","90","","120.8","","90","","308.615","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Br","","- Br H4 N O -","- Br H4 N O -","- Br4 H16 N4 O4 -","4","1","","Jerslev, B.","The structure of hydroxylammonium chloride, N H3 O H Cl, and hydroxylammonium bromide, N H3 O H Br","Acta Crystallographica (1,1948-23,1967)","1948","1","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"9007425","5.08","","5.08","","11.7","","90","","90","","90","","301.935","","","","","","","","","","","","Synthetic","3","I 41/a :1","I 4bw -1bw","88","","","Tetrarooseveltite","- As Bi O4 -","- As Bi O4 -","- As4 Bi4 O16 -","4","0.25","","Mooney, R. C. L.","Crystal structure of tetragonal bismuth arsenate, BiAsO4","Acta Crystallographica","1948","1","","163","165","10.1107/S0365110X48000478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""