# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-22T14:33:21+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 'Nature Communications') AND volume = 12 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
"1564658","9.4633","0.0005","24.9968","0.0012","14.8197","0.0008","90","","92.583","0.002","90","","3502.1","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C56 H56 Cl12 F80 O36 S12 Sb12 -","4","1","","Hoffmann, Kurt F.; Wiesner, Anja; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Kazim, Muhammad; Pitts, Cody Ross; Lectka, Thomas; Riedel, Sebastian","Structural proof of a [C‒F‒C]+ fluoronium cation","Nature Communications","2021","12","1","5275","","10.1038/s41467-021-25592-6","","","0.71073","MoKα","","0.0247","0.0233","","","0.0528","0.0535","","","","","","1.149","","","","has coordinates,has disorder","269154","2021-09-15","18:28:06",""
"1566653","8.61942","0.00007","8.61942","","5.59301","0.00008","90","","90","","90","","415.529","0.007","","","","","","","","","","","","2","P -4","P -4","81","Ice XIX","","","- D2 O -","- D1.9992 O -","- D39.984 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273847","2022-03-20","11:55:53",""
"1566654","8.6278","0.0004","8.6114","0.0004","5.59299","0.00008","90","","90","","90","","415.54","0.03","","","","","","","","","","","","2","P c c 2","P 2 -2c","27","Ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273848","2022-03-20","11:56:48",""
"1566655","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","","","","","","","","","","2","P -4","P -4","81","ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.","Structural characterization of ice XIX as the second polymorph related to ice VI","Nature Communications","2021","12","","1128","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273851","2022-03-21","00:29:09",""
"1566656","8.3966","0.0003","5.4546","0.0001","8.3737","0.0003","90","","90","","90","","383.52","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- D2 O -","- D2 O -","- D40 O20 -","20","2.5","","Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.","Structure and nature of ice XIX","Nature Communications","2021","12","","3162","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273852","2022-03-21","01:01:58",""