# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T05:20:26+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 = 2 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
"2300378","4.1526","","4.1526","","4.1526","","90","","90","","90","","71.608","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ag3 Mg -","- Ag3 Mg -","- Ag3 Mg -","1","0.00520833","","Laine, E.; Tarne, T.; Haemaelaeinen, M.","Thermal expansion of the Ag3 Mg alloy in the ordered and disordered states","Journal of Applied Crystallography","1969","2","","95","101","10.1107/S0021889869006650","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"5000219","3.7597","0.0001","3.7597","0.0001","10.4412","0.0002","90","","90","","120","","127.8","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","296111","2024-11-26","13:14:48",""
"9009651","3.7595","0.0001","3.7595","0.0001","10.4573","0.0002","90","","90","","120","","128","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009652","3.7598","","3.7598","","10.5475","","90","","90","","120","","129.125","","","","299","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Arsenic","Arsenic","Arsenic","- As -","- As -","- As6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009653","4.3007","","4.3007","","11.222","","90","","90","","120","","179.754","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009654","4.3012","","4.3012","","11.232","","90","","90","","120","","179.956","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009655","4.3084","","4.3084","","11.274","","90","","90","","120","","181.234","","","","299","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009656","4.533","","4.533","","11.797","","90","","90","","120","","209.93","","","","4.2","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009657","4.535","","4.535","","11.814","","90","","90","","120","","210.418","","","","78","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""
"9009658","4.546","","4.546","","11.862","","90","","90","","120","","212.299","","","","298","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi6 -","6","0.166667","","Schiferl, D.; Barrett, C. S.","The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 298 K","Journal of Applied Crystallography","1969","2","","30","36","10.1107/S0021889869006443","","","","","","","","","","","","","","","","","","","","","has coordinates","296112","2024-11-26","13:37:37",""