# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-11T03:38:06+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 'Journal of Applied Crystallography') AND volume = 30 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
"2300447","4.9246","0.0001","8.5216","0.0001","5.0245","0.0001","90","","109.398","0.001","90","","198.886","0.006","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Manganese Oxide (1.99/1.01/3)","","- Li1.99 Mn1.01 O3 -","- Li1.99 Mn1.01 O3 -","- Li7.96 Mn4.04 O12 -","4","0.5","","Massarotti, V.; Bini, M.; Capsoni, D.; Altomare, A.; Moliterni, A. G. G.","Ab initio structure determination of Li~2~MnO~3~ from X-ray powder diffraction data","Journal of Applied Crystallography","1997","30","2","123","127","10.1107/S0021889896012460","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176332","2020-10-21","18:00:00",""
"6000209","28.691","","5.6865","","14.368","","90","","113.22","","90","","2154.28","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C12 H16 Mo5 N2 O16 -","","","","","","Lasocha, W.; Schenk, H.","Crystal structure of anilinium pentamolybdate from powder diffraction data. The solution of the crystal structure by direct methods package powsim","Journal of Applied Crystallography","1997","30","","909","913","10.1107/S0021889897003105","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""