# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:01:09+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 'Zeitschrift fuer Kristallographie (149,1979-)') AND volume = 180 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
"1007181","15.32","0.01","7.89","0.005","6.49","0.005","90","","90.76","0.01","90","","784.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diniobium cobalt tris(diphosphate)","","- Co Nb2 O21 P6 -","- Co Nb2 O21 P6 -","- Co2 Nb4 O42 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data and structure of Nb~2~Co(P~2~O~7~)~3~ and Nb~2~Mg(P~2~O~7~)~3~","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","195","202","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007262","15.36","0.01","7.93","0.005","6.487","0.005","90","","90.51","0.01","90","","790.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Niobium magnesium diphosphate (2.02/0.98/3)","","- Mg0.98 Nb2.02 O21 P6 -","- Mg0.98 Nb2.02 O21 P6 -","- Mg1.96 Nb4.04 O42 P12 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","195","202","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008371","11.977","0.004","6.878","0.002","13.285","0.004","90","","106.5","0.02","90","","1049.3","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dibismuth tetraphosphate","","- Bi2 O13 P4 -","- Bi2 O13 P4 -","- Bi8 O52 P16 -","4","0.5","","Bagieu-Beucher, M; Averbuch-Pouchot, M-T","Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~ O~13~","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","165","170","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8104236","6.551","","6.551","","6.847","","90","","90","","90","","293.843","","","","","","","","","","","","","2","P 4 c c","P 4 -2c","103","","","","- Nb Te4 -","- Nb Te4 -","- Nb2 Te8 -","2","0.25","","Boehm, H.","The high temperature modification of niobium tetratelluride Nb Te4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104237","7.433","","7.839","","9.464","","108.28","","112.68","","92.73","","474.096","","","","","","","","","","","","","4","P -1","-P 1","2","","K Cu4 (P O4)3","","- Cu4 K O12 P3 -","- Cu4 K O12 P3 -","- Cu8 K2 O24 P6 -","2","1","","Effenberger, H.","KCu4(PO4)3: A compound with two trigonal dipyramidal Cu(II)O5 coordination polyhedra","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","43","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104238","9.3259","","11.851","","6.6907","","74.96","","81.4","","83.25","","703.7","","","","","","","","","","","","","4","P -1","-P 1","2","","H Na10 ( B18 O30 (O H)5 )","","- B18 H6 Na10 O35 -","- B18 H6 Na10 O35 -","- B18 H6 Na10 O35 -","1","0.5","","Bonazzi, P.; Menchetti, S.; Sabelli, C.; Trosti-Ferroni, R.","Two different borate groups in the structure of H Na10 ( B18 O30 (O H)5 )","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","51","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104239","8.656","","8.106","","15.26","","90","","89.8","","90","","1070.72","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na Zn (P O4)","","- Na O4 P Zn -","- Na O4 P Zn -","- Na12 O48 P12 Zn12 -","12","3","","Elammari, L.; Elouadi, B.; Cot, L.; Durand, J.","The structure of Na Zn P O4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","137","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104242","7.123","","15.762","","5.416","","90","","90","","90","","608.069","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Bi2 Co O3 S O4","","- Bi2 Co O7 S -","- Bi2 Co O7 S -","- Bi8 Co4 O28 S4 -","4","0.5","","Fanariotis, I.A.; Rentzeperis, P.J.","The crystal structure of a new bismuth cobalt oxide sulfate Bi2CoO3SO4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104244","13.6427","","13.6427","","9.0965","","90","","90","","120","","1466.24","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Li Ga (Si O4)","","- Ga Li O4 Si -","- Ga Li O4 Si -","- Ga18 Li18 O72 Si18 -","18","2","","Fleet, M.E.","Crystal structures of alpha-Li Ga Si O4, alpha-Li Al Ge O4, and alpha-Li Ga Ge O4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104245","13.7683","","13.7683","","9.1919","","90","","90","","120","","1509.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li (Al Ge O4)","","- Al Ge Li O4 -","- Al Ge Li O4 -","- Al18 Ge18 Li18 O72 -","18","1","","Fleet, M.E.","Crystal structures of alpha-Li Ga Si O4, alpha-Li Al Ge O4, and alpha-Li Ga Ge O4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104246","13.7683","","13.7683","","9.1919","","90","","90","","120","","1509.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Ga Ge O4","","- Ga Ge Li O4 -","- Ga Ge Li O4 -","- Ga18 Ge18 Li18 O72 -","18","1","","Fleet, M.E.","Crystal structures of alpha-LiGaSiO4, alpha-LiAlGeO4, and alpha-LiGaGeO4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104247","6.855","","6.855","","12.471","","90","","90","","90","","586.025","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Tb2 Ge2 O7","","- Ge2 O7 Tb2 -","- Ge2 O7 Tb2 -","- Ge8 O28 Tb8 -","4","0.5","","Geller, S.; Gaines, J.M.","The crystal structure of terbium pyrogermanate, Tb2Ge2O7","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","166484","2020-10-21","18:00:00",""
"8104266","6.16","","10.774","","6.045","","97.6","","107.3","","77.22","","372.601","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu (S O4).37 (Se O4).63 (H2 O)8","","- Cu O9 S0.37 Se0.63 -","- Cu O9 S0.37 Se0.63 -","- Cu2 O18 S0.74 Se1.26 -","2","1","","Mestres, L.; Martinez, M.L.; Rodriguez, A.","The isomorphism between CuSeO45H2O and CuSO4 5H2O","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","179","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104315","13.005","","25.622","","19.155","","90","","90","","90","","6382.72","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag Pb Sb3 S6","","- Ag Pb S6 Sb3 -","- Ag Pb S6 Sb3 -","- Ag24 Pb24 S144 Sb72 -","24","6","","Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M.","The crystal structure of senandorite (andorite VI): Pb Ag Sb3 S6","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008385","13.005","","19.155","","25.62199","","90","","90","","90","","6382.71","","","","","","","","","","","","Freiberg, Saxony, Germany","4","P n 21 a","P -2ac -2n","33","","","Andorite VI","- Ag Pb S6 Sb3 -","- Ag Pb S6 Sb3 -","- Ag24 Pb24 S144 Sb72 -","24","6","","Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M.","The crystal structure of senandorite (andorite VI): PbAgSb3S6","Zeitschrift fur Kristallographie","1987","180","","141","150","10.1524/zkri.1987.180.1-4.141","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""