# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-09T10:47:50+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 Chemical Physics') AND volume = 42 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
"1008189","4.06","0.02","4.06","0.02","8","0.02","90","","90","","90","","131.9","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Hydrogen peroxide","","- H2 O2 -","- H2 O2 -","- H8 O8 -","4","0.5","","Busing, William R.; Levy, Henri A.","Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study","Journal of Chemical Physics","1965","42","9","3054","3059","10.1063/1.1696379","","","","","","","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"9012466","7.355","","8.548","","3.637","","90","","98.18","","90","","226.334","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Rokuehnite","- Cl2 Fe H4 O2 -","- Cl2 Fe H4 O2 -","- Cl4 Fe2 H8 O4 -","2","0.25","","Morosin, B.; Graeber, E. J.","Crystal structures of manganese(II) and iron(II) chloride dihydrate","Journal of Chemical Physics","1965","42","","898","901","10.1063/1.1696078","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012467","7.409","","8.8","","3.691","","90","","98.67","","90","","237.9","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 H4 Mn O2 -","- Cl2 H4 Mn O2 -","- Cl4 H8 Mn2 O4 -","2","0.25","","Morosin, B.; Graeber, E. J.","Crystal structures of manganese(II) and iron(II) chloride dihydrate","Journal of Chemical Physics","1965","42","","898","901","10.1063/1.1696078","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012468","12.03","","12.03","","12.03","","90","","90","","90","","1740.99","","","","248.15","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Clathrat","","Hydrate - ethylene oxide","- C6.2 H46 O26 -","- C6.2 H46 O26.0001 -","- C12.4 H92 O52.0001 -","2","0.0416667","","McMullan, R. K.; Jeffery, G. A.","Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate Sample: T = -25 C, 6.4C2H4O*46H2O","Journal of Chemical Physics","1965","42","","2725","2732","10.1063/1.1703228","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""