# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T04:11:25+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 'J. Phys. Chem. B') AND volume = 109 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
"1529027","10.43638","","15.01832","","8.85531","","90","","105.739","","90","","1335.92","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Si6 O12 (C3 D6)0.45","","- C1.35 D2.7 O12 Si6 -","- C1.35 D2.7 O12 Si6 -","- C5.4 D10.8 O48 Si24 -","4","1","","Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H.","Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study","J. Phys. Chem. B","2005","109","","7894","7899","","","","","","","","","","","","","","","","","","","","","","has coordinates","151947","2020-10-21","18:00:00",""
"1534642","8.6857","","5.0521","","9.4954","","90","","90","","90","","416.668","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (O H)3","","- Al H3 O3 -","- Al O3 -","- Al8 O24 -","8","1","","Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D.","Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies","J. Phys. Chem. B","2005","109","","8857","8860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""