# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-04-09T04:56:47+02:00
# 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 'Kristallografiya') AND volume = 31 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
"1000057","4.157","0.0001","4.157","0.0001","4.157","0.0001","90","","90","","90","","71.8","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Lanthanum boride (1/6)","","- B6 La -","- B6 La -","- B6 La -","1","0.0208333","","Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y","X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides","Kristallografiya","1986","31","","803","805","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:07",""
"1100084","7.299","0.006","8.273","0.008","4.94","0.003","90","","99.9","0.06","90","","293.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium bis(hydrogensulfate)","","- H2 Mg O8 S2 -","- H2 Mg O8 S2 -","- H4 Mg2 O16 S4 -","2","0.5","","Simonov, M A; Troyanov, S I; Kemnitz, E; Haas, D; Kammler, M","Crystal structure of Mg (H S O~4~)~2~","Kristallografiya","1986","31","","1220","1221","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9011773","8.783","","15.432","","8.252","","90","","90","","90.09","","1118.47","","","","","","","","","","","","Synthetic","4","P 1 1 21/n","-P 2n","14","","","","- Al Ge Na O4 -","- Al Ge Na O4 -","- Al12 Ge12 Na12 O48 -","12","3","","Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G.","Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) to match reported bond lengths Note: z coordinate of O8 changed from .05135 to .15135 to match reported bond lengths Note: y coordinate of O11 changed from .04154 to .05154 to match reported bond lengths","Kristallografiya","1986","31","","522","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011774","18.429","","18.429","","8.599","","90","","90","","120","","2529.19","","","","","","","","","","","","Synthetic","4","P 63","P 6c","173","","","","- Al Ge K O4 -","- Al Ge K O4 -","- Al24 Ge24 K24 O96 -","24","4","","Sandomirskii, P. A.; Meshalkin, S. S.; Rozhdestvenskaya, I. V.; Dem'yanets, L. N.; Uvarova, T. G.","Crystal structures of the D-phase of K(AlGeO4) and the C-phase of Na(AlGeO4) match reported bond lengths Note: z coordinate of O23 changed from .2859 to .2598 to match reported bond lengths Note: y coordinate of O31 changed from .5328 to .5388 to match reported bond lengths","Kristallografiya","1986","31","","522","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""