# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:26:54+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 'Anales de Quimica International Edition') 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
"6000236","10.2157","0.0002","10.2157","0.0002","10.2157","0.0002","90","","90","","90","","1066.12","","","","","","","","","","","","Villahermosa del Río, Castellón, Spain","4","I -4 3 m","I -4 2 3","217","","","tennantite","- As4 Cu6.48 Fe5.52 S13 -","- As4 Cu6.48 Fe5.52 S13 -","- As8 Cu12.96 Fe11.04 S26 -","2","0.0416667","","Ochando, L. E.; Casanova, J. M.; Esteve, V. J.; Reventós, M. M.; Amigó, J. M.","Rietveld crystal structure refinement of tennantite, Cu~6~(Cu~0.48~Fe~5.52~)As~4~S~13~","Anales de Quimica International Edition","1998","94","","359","362","","powder diffraction","","","","","0.1739","","","","","","","0.1266","","","","","","","","has coordinates,has disorder","277869","2022-09-15","09:05:59",""
"6000237","3.0844","","9.508","","9.993","","90","","91.01","","90","","293.01","","","","","","","","","","","","","4","P 1 c 1","","","","","","- Fe2 H5 N O8 -","","","","","","Pelloquin, L.; Louer, M.; Louer, D.","A powder diffraction study of iron oxide hydroxide nitrate, Fe2O(OH)(3)NO3.H2O: ab initio structure determination and anion exchange reactions","Anales de Quimica International Edition","1998","94","","369","373","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000238","21.0999","","5.5313","","8.5744","","90","","97.337","","90","","992.52","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C6 H6 Ba O6 P2 -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Synthesis and structures of barium arylbisphosphonates derived from X-ray powder data","Anales de Quimica International Edition","1998","94","","401","405","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000239","29.34","","5.5611","","8.5342","","90","","89.56","","90","","1392.42","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C12 H9 Ba O6 P2 -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Synthesis and structures of barium arylbisphosphonates derived from X-ray powder data","Anales de Quimica International Edition","1998","94","","401","405","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000391","16.872","","16.872","","5.2256","","90","","90","","120","","1288.25","","","","","","","","","","","","","8","P 3 c 1","","","","","","- Al5.5 Ca2 Fe2 H28.6 Mg3 Na2 O59.3 Si13.5 -","","","","","","Rius, J.; Plana, F.; Queralt, I.; Louer, D.","Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data","Anales de Quimica International Edition","1998","94","","101","106","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000690","7.0878","","9.0362","","12.702","","90","","90","","90","","813.52","","","","","","","","","","","","","3","C m c a","","","","","","- O9 P2 U2 -","","","","","","Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Synthesis, ab initio structure determination from powder diffraction and spectroscopic properties of a new diuranium oxide phosphate","Anales de Quimica International Edition","1996","92","","79","87","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000721","16.872","","16.872","","5.2256","","90","","90","","120","","1288.25","","","","","","","","","","","","","8","P 3 c 1","","","","","","- Al5.5 Ca2 Fe2 H26.6 Mg3 Na2 O59.3 Si13.5 -","","","","","","Rius, J.; Plana, F.; Queralt, I.; Louer, D.","Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data","Anales de Quimica International Edition","1998","94","","101","106","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000736","3.0844","","9.508","","9.993","","90","","91.01","","90","","293.01","","","","","","","","","","","","","4","P 1 c 1","","","","","","- Fe2 H5 N O8 -","","","","","","Pelloquin, L.; Louer, M.; Louer, D.","A powder diffraction study of iron oxide hydroxide nitrate, Fe2O(OH)(3)NO3 .H2O: ab initio structure determination and anion exchange reactions","Anales de Quimica International Edition","1998","94","","369","373","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""