# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:55:20+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 'Powder Diffraction') AND volume = 26 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
"1507770","5.99259","0.00013","5.57807","0.00012","11.5208","0.0003","90","","90","","90","","385.107","0.015","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- F2.26 Fe0.26 Pb0.74 -","- F1.557 Fe0.25975 Pb0.74025 -","- F12.456 Fe2.078 Pb5.922 -","8","0.5","","Le Bail, A","The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27)","Powder Diffraction","2011","26","","303","307","10.1154/1.3659491","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507774","4.1769","0.0002","4.7218","0.0002","58.3385","0.0001","89.44","0.003","89.634","0.005","75.854","0.001","1115.63","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H43 Ag O2 -","- C22 H43 Ag O2 -","- C44 H86 Ag2 O4 -","2","1","","Blanton, T N; Rajeswraran, M; Stephens, P W; Whitcomb, D R; Misture, S T; Kaduk, J A","Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods","Powder Diffraction","2011","26","","313","320","10.1154/1.3661981","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"3000000","8.4721","0.0005","7.1575","0.0007","4.1265","0.0004","90","","90","","90","","250.23","0.04","293","","","","","","","","","","Synthetic","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Armel Le Bail; Salim Ouhenia; Daniel Chateigner","Microtwinning hypothesis for a more ordered vaterite model","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","powder diffraction","","","X-ray","","","","","","","","","5.2218","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"3000009","16.0725","0.0009","7.7301","0.0003","14.6189","0.0009","90","","96.8695","0.001","90","","1803.24","0.17","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","3,4-diaminopyridin-1-ium dihydrogen phosphate","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Armel Le Bail; Lubomir Smrcok","Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate","Powder Diffraction","2011","26","","321","","10.1154/1.3660160","powder diffraction","","1.5418","CuKα","","","","","","","","","2.6801","","","","","","","","has coordinates","201981","2020-10-21","18:00:00",""
"9015898","4.1304","","4.1304","","8.4749","","90","","90","","120","","125.213","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C0.99999 Ca O2.99997 -","- C1.99998 Ca2 O5.99994 -","2","0.0833333","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016547","4.1291","","7.1581","","8.4764","","90","","90","","90","","250.533","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Le Bail, A.; Ouhenia, S.; Chateigner, D.","Microtwinning hypothesis for a more ordered vaterite model Note: Meyer (1959) model, not preferred","Powder Diffraction","2011","26","","16","21","10.1154/1.3552994","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017809","7.00032","","6.99234","","6.24097","","90","","90","","90","","305.487","","","","","","","","","","","","Hants County, Nova Scotia, Canada","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017810","7.00071","","6.99274","","6.24125","","90","","90","","90","","305.535","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017811","7.00136","","6.99339","","6.24171","","90","","90","","90","","305.614","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Antao, S.","Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data","Powder Diffraction","2011","26","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""