# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-01T15:20:23+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 'Journal of Applied Crystallography') AND volume = 32 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
"6000256","16.0608","","5.3829","","3.6383","","90","","92.869","","90","","314.15","","","","","","","","","","","","","4","P 1 21 1","","","","","","- C7 H5 Na O3 -","","","","","","Dinnebier, R. E.; von Dreele, R.; Stephens, P. W.; Jelonek, S.; Sieler, J.","Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction: application of a phenomenological model of anisotropic peak width","Journal of Applied Crystallography","1999","32","","761","769","10.1107/S0021889899005233","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000278","14.3296","","15.2733","","10.4428","","90","","91.052","","90","","2285.13","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C9 H9 N3 O2 S -","","","","","","Chan, F. C.; Anwar, J.; Cernik, R.; Barnes, P.; Wilson, R. M.","Ab initio structure determination of sulfathiazole polymorph v from synchrotron X-ray powder diffraction data","Journal of Applied Crystallography","1999","32","3","436","441","10.1107/S0021889898017233","","","","","","","","","","","","","","","","","","","","","","174950","2020-10-21","18:00:00",""
"6000344","9.702","","18.623","","13.676","","90","","91.18","","90","","2470.46","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C56 H50 O9 S3 -","","","","","","Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N.","Crystal structures of a solvated and unsolvated sulfone cyclic oligomer","Journal of Applied Crystallography","1999","32","","15","20","10.1107/S0021889898006189","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000345","9.5703","","18.7582","","13.3945","","90","","92.684","","90","","2401.96","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- C54 H44 O8 S2 -","","","","","","Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N.","Crystal structures of a solvated and unsolvated sulfone cyclic oligomer","Journal of Applied Crystallography","1999","32","","15","20","10.1107/S0021889898006189","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9014297","10.20141","","5.98348","","4.75534","","90","","90","","90","","290.266","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014320","10.60016","","6.25753","","4.90338","","90","","90","","90","","325.245","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tephroite","- Mn2 O4 Si -","- Mn2 O4 Si -","- Mn8 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015074","10.451","","6.12446","","4.80757","","90","","90","","90","","307.717","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015192","10.451","","6.12446","","4.80757","","90","","90","","90","","307.717","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015658","10.20141","","5.98348","","4.75534","","90","","90","","90","","290.266","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015849","10.60016","","6.25753","","4.90338","","90","","90","","90","","325.245","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Tephroite","- Mn2 O4 Si -","- Mn2 O4 Si -","- Mn8 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016116","10.52411","","6.17903","","4.83927","","90","","90","","90","","314.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg0.6 Mn1.4 O4 Si -","- Mg0.6 Mn1.4 O4 Si -","- Mg2.4 Mn5.6 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016435","10.52411","","6.17903","","4.83927","","90","","90","","90","","314.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tephroite","- Mg0.6 Mn1.4 O4 Si -","- Mg0.6 Mn1.4 O4 Si -","- Mg2.4 Mn5.6 O16 Si4 -","4","0.5","","Yamazaki, S.; Toraya, H.","Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1","Journal of Applied Crystallography","1999","32","","51","59","10.1107/S0021889898010206","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""