# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T16:54:01+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'B 1 1 b' 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
"1528348","12.549","","27.84","","7.091","","90","","90","","101.86","","2424.46","","","","","","","","","","","","","3","B 1 1 b","B -2b","9","","La (I O3)3","","- I3 La O9 -","- I3 La O9 -","- I36 La12 O108 -","12","3","","Belokoneva, E.L.","Prediction of the structures in the family of La (I O3)3 iodates based on topology and symmetry analysis within the OD theory","Kristallografiya","2008","53","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529797","10.39","","8.99","","14.65","","90","","90","","124.15","","1132.45","","","","","","","","","","","","","4","B 1 1 b","B -2b","9","","K3 Yb (S O4)3","","- K3 O12 S3 Yb -","- K3 O12 S3 Yb -","- K12 O48 S12 Yb4 -","4","1","","Degtyarev, P.A.; Pokrovskii, A.N.; Korytnaya, F.M.; Kovba, L.M.","Crystal structure of K3 Yb (S O4)3","Kristallografiya","1978","23","","1036","1039","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535661","23.013","","15.158","","6.721","","90","","90","","118.76","","2055.28","","","","","","","","","","","","","5","B 1 1 b","B -2b","9","","N H4 Zr F5 (H2 O)0.75","","- F5 H5.5 N O0.75 Zr -","- F5 H5.5 N O0.75 Zr -","- F80 H88 N16 O12 Zr16 -","16","4","","Bukvetskii, B.V.; Gerasimenko, A.V.; Davidovich, R.L.","Crystal structures of ammonium fluorozirkonates NH4ZrF5*0.75H2O and (NH4)2ZrF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539807","15.404","","9.103","","8.919","","90","","90","","123.53","","1042.53","","","","","","","","","","","","","4","B 1 1 b","B -2b","9","","Na3 Sc2 (P O4)3","","- Na3 O12 P3 Sc2 -","- Na3 O12 P3 Sc2 -","- Na12 O48 P12 Sc8 -","4","1","","Collin, G.; Comes, R.; Boilot, J.P.; Colomban, P.","Disorder of tetrahedra in Nasicon-type structure - part I. Na3 Sc2 (P O4)3: structures and ion-ion correlations","Journal of Physics and Chemistry of Solids","1986","47","","843","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541740","16","","9.109","","8.928","","90","","90","","127.15","","1037.13","","","","","","","","","","","","","4","B 1 1 b","B -2b","9","","Na3 Sc2 (P O4)3","","- Na3 O12 P3 Sc2 -","- Na2.9975 O12 P3 Sc2 -","- Na11.99 O48 P12 Sc8 -","4","1","","Efremov, V.A.; Kalinin, V.B.","Determination of the crystal structure of Na3 Sc2 (P O4)3","Kristallografiya","1978","23","","703","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020137","6.66","","6.66","","11.65","","90","","90","","108.12","","491.116","","","","","","","","","","","","","2","B 1 1 b","B -2b","9","","","","- Ga2 Se3 -","- Ga2 Se3 -","- Ga8 Se12 -","4","1","","Ghemard, G.; Jaulmes, S.; Etienne, J.; Flahaut, J.","Structure de la phase ordonnee du sesquiseleniure de gallium, Ga2 Se3","Acta Crystallographica C (39,1983-)","1983","39","","968","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106737","16.05","","16.63","","13.14","","90","","90","","108.1","","3333.67","","","","","","","","","","","","","5","B 1 1 b","B -2b","9","","(C (N H2)3)6 (Ce (C O3)5) (H2 O)4","","- C11 H44 Ce N18 O19 -","- C11 Ce N18 O19 -","- C44 Ce4 N72 O76 -","4","1","","Voliotis, S.; Rimsky, A.; Faucherre, J.","Etude structurale des carbonates complexes de cerium et de thorium. I. Structure cristalline et moleculaire du pentacarbonatocerate de guanidine tetrahydrate, (C (N H2)3)6 Ce (C O3)5 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2607","2611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106738","16.15","","16.7","","13.23","","90","","90","","108.41","","3385.58","","","","","","","","","","","","","5","B 1 1 b","B -2b","9","","(C (N H2)3)6 (Th (C O3)5) (H2 O)4","","- C11 H44 N18 O19 Th -","- C11 H44 N18 O19 Th -","- C44 H176 N72 O76 Th4 -","4","1","","Voliotis, S.; Rimsky, A.","Etude structurale des carbonates complexes de cerium et de thorium II. Structure cristalline et moleculaire du pentacarbonatothorate de guanidine tetrahydrate, (C (N H2)3)6 Th (C O3)5 (H2 O)4","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2612","2615","","","","","","","","","","","","","","","","","","","","","","has coordinates","189298","2020-10-21","18:00:00",""
"9013974","6.735","","7.425","","27.987","","90","","90","","123.25","","1170.43","","","","","","","","","","","","Ballycraigy, Northern Ireland","4","B 1 1 b","B -2b","9","","","Plombierite","- Ca2.5 H11 O12.5 Si3 -","- Ca2.5 H8 O12.5 Si3 -","- Ca10 H32 O50 Si12 -","4","1","","Bonaccorsi, E.; Merlino, S.","The crystal of tobermorite 14 A (plombierite) a C­S­H phase","Journal of the American Ceramic Society","2005","88","","505","512","10.1111/j.1551-2916.2005.00116.x","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""