# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T13:14:09+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 'Powder Diffraction') AND volume = 18 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
"1507762","10.4052","0.0001","7.2251","0.0001","7.2689","0.0001","90","","90.664","0.0004","90","","546.429","0.012","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Ga3 Na5 -","- F14 Ga3 Na5 -","- F28 Ga6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507763","10.5096","0.0003","7.2253","0.0002","7.2713","0.0002","90","","90.6753","0.0007","90","","552.11","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cr3 F14 Na5 -","- Cr3 F14 Na5 -","- Cr6 F28 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507764","10.4342","0.0007","7.3418","0.0006","7.4023","0.0006","90","","90.799","0.005","90","","567","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F14 Fe3 Na5 -","- F14 Fe3 Na5 -","- F28 Fe6 Na10 -","2","0.5","","Le Bail, A; Mercier, A M","Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction","Powder Diffraction","2003","18","","128","134","10.1154/1.1556990","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1532688","5.9411","","5.8714","","9.4212","","90","","95.232","","90","","327.266","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Pb2 Cl2 (C2 O4)","","- C2 Cl2 O4 Pb2 -","- C2 Cl2 O4 Pb2 -","- C4 Cl4 O8 Pb4 -","2","0.25","","Boudaren, C.; Auffredic, J.P.; Louer, M.; Louer, D.","A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2 O4): ab initio structure determination and thermal behaviour","Powder Diffraction","2003","18","","205","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","158644","2020-10-21","18:00:00",""
"1532850","11.795","","11.795","","11.795","","90","","90","","90","","1640.94","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","(Mo O2)0.41 (P Mo14 O42)","","- Mo14.41 O42.82 P -","- Mo14.427 O41.935 P -","- Mo28.854 O83.87 P2 -","2","0.0416667","","Marosi, L.; Cifre, J.; Otero Arean, C.","X-ray powder diffraction analysis of the heteropoly-molybdate (Mo O2)0.5 P Mo14 O42","Powder Diffraction","2003","18","","236","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533137","5.49","","7.7578","","5.5227","","90","","90","","90","","235.214","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.7 Ba0.3) Mn O3","","- Ba0.3 Mn O3 Pr0.7 -","- Ba0.3 Mn O3 Pr0.7 -","- Ba1.2 Mn4 O12 Pr2.8 -","4","0.5","","Ellouze, M.; Boujelben, W.; Fuess, H.","Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3","Powder Diffraction","2003","18","","29","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533574","6.7097","","9.9574","","15.825","","90","","93.69","","90","","1055.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4 (O (V O (O2)2)2) (H2 O)","","- H2 K4 O12 V2 -","- K4 O12 V2 -","- K16 O48 V8 -","4","1","","Grzywa, M.; Rafalska-Lasocha, A.; Lasocha, W.","X-ray powder diffraction data of potassium mue-oxo-bis(oxodiperoxovanadate)(4-) hydrate K4 (O (V O (O2)2)2) (H2 O)","Powder Diffraction","2003","18","","248","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","159828","2020-10-21","18:00:00",""
"9012499","3.3199","","10.3678","","4.3154","","90","","90","","90","","148.536","","","","1100","","","","1200000","","","","","1","C m c e","-C 2ac 2","64","","","Phosphorus","- P -","- P -","- P8 -","8","0.5","","Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S.","Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K","Powder Diffraction","2003","18","","155","158","10.1154/1.1545115","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""