# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T12:36:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m c 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
"2215044","11.268","0.004","14.141","0.005","22.831","0.012","90","","90","","90","","3638","3","297","2","297","2","","","","","","","","5","I m c b","-I 2a 2","72","","Aqua(N,N-diethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-\ dicarboxylato-κ^3^N,O,O')nickel(II) 2.5-hydrate","","- C13 H26 N3 Ni O7.5 -","- C13 H22 N3 Ni O7.5 -","- C104 H176 N24 Ni8 O60 -","8","0.5","CI2403","Ibrahim Uçar; Ahmet Bulut; Canan Kazak","Aqua(<i>N</i>,<i>N</i>-diethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) 2.5-hydrate","Acta Crystallographica Section E","2007","63","9","m2327","m2328","10.1107/S1600536807038196","","","0.71069","MoKα","","0.0493","0.0461","","","0.1206","0.1229","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"4342930","28.68428","0.00014","5.73465","0.00003","18.27312","0.00005","90","","90","","90","","3005.82","0.02","293","","298","","","","","","","","","5","I m c b","-I 2a 2","72","","","?La2O2Zn0.1Mn0.9Se2?","- La2 Mn0.9 O2 Se2 Zn0.1 -","- La2 Mn0.9 O2 Se2 Zn0.1 -","- La40 Mn18 O40 Se40 Zn2 -","20","1.25","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342931","28.3945","0.0008","5.67917","0.00018","17.70433","0.00012","90","","90","","90","","2854.95","0.12","293","","298","","","","","","","","","5","I m c b","-I 2a 2","72","","","?Ce2O2Zn0.8125Fe0.1875Se2?","- Ce2 Fe0.1875 O2 Se2 Zn0.8125 -","- Ce2 Fe0.125 O2 Se2 Zn0.875 -","- Ce40 Fe2.5 O40 Se40 Zn17.5 -","20","1.25","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7105871","5.7004","0.000026","5.71946","0.000026","17.31342","0.000087","90","","90","","90","","564.473","0.005","295","","295","","","","","","","","","4","I m c b","-I 2a 2","72","","","","- Ce2 Fe O2 Se2 -","- Ce2 Fe O2 Se2 -","- Ce8 Fe4 O8 Se8 -","4","0.25","","Emma McCabe; David Free; John Evans","A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation","Chem.Commun.","2011","47","","1261","","10.1039/c0cc03477k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"9000452","11.556","","15.847","","7.315","","90","","90","","90","","1339.58","","","","","","","","","","","","Palermo pegmatite, near North Groton, New Hampshire, USA","6","I m c b","-I 2a 2","72","","","Palermoite","- Al4 H4 Li2 O20 P4 Sr -","- Al4 H4 Li2 O20 P4 Sr -","- Al16 H16 Li8 O80 P16 Sr4 -","4","0.25","","Moore, P. B.; Araki, T.","Palermoite, SrLi2[Al4(OH)4(PO4)4]: Its atomic arrangement and relationship to carminite, Pb2[Fe4(OH)4(AsO4)4]","American Mineralogist","1975","60","","460","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9002649","8.8159","","4.9371","","10.7605","","90","","90","","90","","468.351","","","","1354","","","","","","","","","2","I m c b","-I 2a 2","72","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","0.75","","Heaney, P. J.; Post, J. E.","Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 1354 K","American Mineralogist","2001","86","","1358","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9016383","11.476","","15.744","","7.228","","90","","90","","90","","1305.94","","","","","","","","","","","","Buranga pegmatite, Rwanda","7","I m c b","-I 2a 2","72","","","Bertossaite","- Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 -","- Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4 -","- Al16 Ca3.48 H16 Li14.88 Na1.64 O80 P16 -","4","0.25","","Hatert, F.; Lefevre, P.; Fransolet, A. M.","The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]","The Canadian Mineralogist","2011","49","","1079","1087","10.3749/canmin.49.4.1079","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""