# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:55:50+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 = 22 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
"2300515","4.958","","4.958","","4.958","","90","","90","","90","","121.876","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir0.94 Mo3.06 -","- Ir0.94 Mo3.06 -","- Ir1.88 Mo6.12 -","2","0.0416667","","Koksbang, R.; Rasmussen, S.E.; Hazell, R.G.","Critical temperatures of superconductivity and neutron diffraction studies at 293 and at 10 K of Mo-Ir single crystal of A15 structure","Journal of Applied Crystallography","1989","22","","23","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2300553","5.827","","5.827","","5.827","","90","","90","","90","","197.85","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th P","","- P Th -","- P Th -","- P4 Th4 -","4","0.0208333","","Staun Olsen, J.; Gerward, L.; Benedict, U.; Vogt, O.; Luo, H.","Crystal structure and the equation of state of thorium monophosphide for pressures up to 50 GPa","Journal of Applied Crystallography","1989","22","","61","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300582","3.4203","","10.0292","","11.0295","","90","","90","","90","","378.344","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cd3 (O H)5 (N O3)","","- Cd3 H5 N O8 -","- Cd3 N O8 -","- Cd6 N2 O16 -","2","0.25","","Plevert, J.; Louer, D.; Louer, M.","The Ab Initio Structure Determination of Cd3 (O H)5 N O3 from X-ray Powder Diffraction Data","Journal of Applied Crystallography","1989","22","","470","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300630","3.8108","0.0003","3.8108","","6.141","0.0005","90","","90","","120","","77.233","0.009","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Palosz, B.; Salje, E.","Lattice parameters and spontaneous strain in A X2 polytypes: Cd I2, Pb I2, Sn, S2 and SnSe2","Journal of Applied Crystallography","1989","22","","622","623","10.1107/S0021889889006916","","","","","","","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"9009659","5.0718","","5.0718","","16.8336","","90","","90","","120","","375.001","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Ahtee, M.; Nurmela, M.; Suortti, P.; Jarvinen, M.","Correction for preferred orientation in Rietveld refinement Sample: II, refined with correction for texture Note: Synthetic sample","Journal of Applied Crystallography","1989","22","","261","268","10.1107/S0021889889000725","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9012000","6.065","","6.065","","17.42","","90","","90","","120","","554.933","","","","","","","","","","","","Synthetic","2","R -3 :H","-R 3","148","","","Molysite","- Cl3 Fe -","- Cl3 Fe -","- Cl18 Fe6 -","6","0.333333","","Hashimoto, S.; Forster, K.; Moss, S. C.","Structure refinement of an FeCl3 crystal using a thin plate sample","Journal of Applied Crystallography","1988","22","","173","180","10.1107/S0021889888013913","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""