# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-14T04:58:47+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 'Nature Materials') AND volume = 6 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
"1544551","5.0365","0.0007","7.2908","0.0009","5.7491","0.0009","90","","90","","90","","211.11","0.05","","","","","","","","","","","","3","C m c m","-C 2c 2","63","AlPO4 CrVO4 structure @ 13.9 GPa","","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 13.9 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188434","2020-10-21","18:00:00",""
"1544552","3.838","0.001","2.506","0.005","4.036","0.008","90","","87.4","0.2","90","","38.78","0.11","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","AlPO4 monoclinic CaCl2 structure @ 97.5 GPa","","","- Al O4 P -","- Al O4 P -","- Al O4 P -","1","0.25","","Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M.","Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa","Nature Materials","2007","6","","698","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","188435","2020-10-21","18:00:00",""
"1552084","18.21","0.03","19.99","0.03","8.632","0.013","90","","100.39","0.05","90","","3091","8","223.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N5 Ni0.5 O2.5 -","- C28 H24 N10 Ni O5 -","- C112 H96 N40 Ni4 O20 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.0573","","","","0.0833","","","","","","1.222","","","","has coordinates","216962","2020-10-21","18:00:00",""
"1552085","18.56","0.11","19.7","0.22","8.63","0.05","90","","100.29","0.2","90","","3105","4","373.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 N5 Ni0.5 -","- C27 H24 N10 Ni -","- C108 H96 N40 Ni4 -","4","0.5","","Tapas Kumar Maj; Ryotaro Matsuda; Susumu Kitagawa","A flexible interpenetrating coordination framework with a bimodal porous functionality","Nature Materials","2007","6","","142","148","10.1038/nmat1827","","","0.7107","MoKα","","","0.1148","","","","0.1867","","","","","","1.692","","","","has coordinates","216963","2020-10-21","18:00:00",""