# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-20T02:45:37+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 'Acta Crystallographica, Section A') AND volume = 38 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
"2310722","16.551","","5.517","","15.716","","90","","90","","90","","1435.06","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Th (Nb4 O12)","","- Nb4 O12 Th -","- Nb4 O12 Th -","- Nb24 O72 Th6 -","6","0.375","","Alario-Franco, M.A.; Grey, I.E.; Labeau, M.; Joubert, J.C.; Vincent, H.","Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples","Acta Crystallographica A (24,1968-38,1982)","1982","38","","177","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310723","5.517","","5.517","","7.858","","90","","90","","90","","239.176","","","","","","","","","","","","","3","P m a m","-P 2 2a","51","","Th (Nb4 O12)","","- Nb4 O12 Th -","- Nb4 O12 Th -","- Nb4 O12 Th -","1","0.125","","Alario-Franco, M.A.; Grey, I.E.; Joubert, J.C.; Vincent, H.; Labeau, M.","Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples","Acta Crystallographica A (24,1968-38,1982)","1982","38","","177","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310730","12.2","","3.78","","15.6","","90","","105","","90","","694.896","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2 Ti9 O19","","- Na2 O19 Ti9 -","- Na2 O19 Ti9 -","- Na4 O38 Ti18 -","2","0.25","","Bando, Y.","Combination of Convergent-Beam Electron Diffraction and 1 MeV Structure Imaging in a Structure Determination of Na2 Ti9 O19","Acta Crystallographica A (24,1968-38,1982)","1982","38","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","160735","2020-10-21","18:00:00",""
"2310820","3.345","","3.445","","6.08","","90","","109.9","","90","","65.879","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na (O H)","","- H Na O -","- H Na O -","- H2 Na2 O2 -","2","0.5","","Bleif, H.J.; Dachs, H.","Crystalline modifications and structural phase transitions of Na O H and Na O D","Acta Crystallographica A (24,1968-38,1982)","1982","38","","470","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310821","5.1","","5.1","","5.1","","90","","90","","90","","132.651","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na (O D)","","- D Na O -","- Na O -","- Na4 O4 -","4","0.0208333","","Bleif, H.J.; Dachs, H.","Crystalline modifications and structural phase transitions of Na O H and Na O D","Acta Crystallographica A (24,1968-38,1982)","1982","38","","470","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007496","4.7602","","4.7602","","12.9933","","90","","90","","120","","254.977","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","Corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","","Lewis, J.; Schwarzenbach, D.; Flack, H. D.","Electric field gradients and charge density in corundum alpha-Al2O3","Acta Crystallographica, Section A","1982","38","","733","739","10.1107/S0567739482001478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""