# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T12:10:57+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 the American Chemical Society') AND volume = 112 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
"4119079","12.285","","12.285","","9.268","","90","","90","","120","","1211.34","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr6 (Ho Sc) (B O3)6","","- B6 Ho O18 Sc Sr6 -","- B6 Ho O18 Sc Sr6 -","- B18 Ho3 O54 Sc3 Sr18 -","3","0.166667","","Cox, J.R.; Douglas, A.K.; Alekel, T.; Schaffers, K.I.; Thompson, P.D.","New structural class of solid-state oxide","Journal of the American Chemical Society","1990","112","","7068","7069","10.1021/ja00175a056","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4124700","14.41","","14.41","","14.41","","90","","90","","90","","2992.21","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Ca3.95 (N D4)4.1 (Al12 Si36 O96)","","- Al12 N4.104 O96 Si36 -","- Al12 N4.104 O96 Si36 -","- Al12 N4.104 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Cox, D.E.; Abrams, L.; Jones, G.A.; Harrison, W.T.A.; Eddy, M.M.; Stucky, G.D.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","168892","2020-10-21","18:00:00",""
"4124701","14.11","","14.11","","14.11","","90","","90","","90","","2809.19","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Ca3.95 (N D4)4.1 (Al12 Si36 O96)","","- Al12 Ca3.948 O96 Si36 -","- Al12 Ca3.948 O96 Si36 -","- Al12 Ca3.948 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Abrams, L.; Stucky, G.D.; Eddy, M.M.; Harrison, W.T.A.; Jones, G.A.; Cox, D.E.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","168895","2020-10-21","18:00:00",""
"4124702","13.9645","","13.9645","","13.9645","","90","","90","","90","","2723.18","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Ca3.4 D5.2 (Al12 Si36 O96)","","- Al12 Ca3.4 D5.2 O96 Si36 -","- Al12 Ca3.396 O96 Si36 -","- Al12 Ca3.396 O96 Si36 -","1","0.0208333","","Corbin, D.R.; Abrams, L.; Stucky, G.D.; Jones, G.A.; Eddy, M.M.; Harrison, W.T.A.; Cox, D.E.","Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO","Journal of the American Chemical Society","1990","112","","4821","4830","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124708","5.9002","","5.9002","","5.9002","","90","","90","","90","","205.4","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Zn (C N)2","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0833333","","Hoskins, B.F.; Robson, R.","Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 and Cd (C N)2 structures and the synthesis and structure of the diamond-related frame","Journal of the American Chemical Society","1990","112","","1546","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124709","6.301","","6.301","","6.301","","90","","90","","90","","250.166","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","Cd (C N)2","","- C2 Cd N2 -","- C2 Cd N2 -","- C4 Cd2 N4 -","2","0.0833333","","Hoskins, B.F.; Robson, R.","Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 & Cd (C N)2 structures & the synthesis & structure of the diamond-related framew","Journal of the American Chemical Society","1990","112","","1546","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""