# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:05:52+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 = 153 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
"1008775","5.576","","5.576","","4.692","","90","","90","","90","","145.9","","","","100","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008785","5.645","0.003","5.645","0.003","4.704","0.003","90","","90","","90","","149.9","","","","293","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008786","5.578","0.005","5.578","0.005","4.695","0.005","90","","90","","90","","146.1","","","","123","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008787","5.572","0.008","5.572","0.008","4.686","0.008","90","","90","","90","","145.5","","","","60","","","","","","","","synthetic from solution","4","P -4 21 m","P -4 2ab","113","Urea","Urea","Urea","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C","Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","237","254","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"8103528","4.7779","","4.8119","","6.572","","90","","90","","90","","151.095","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Hg (S O4)","","- Hg O4 S -","- Hg O4 S -","- Hg2 O8 S2 -","2","0.5","","Aurivillius, K.; Stalhandske, C.","Reinvestigation of the crystal structures of Hg S O4 and Cd S O4","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103529","4.6982","","4.7191","","6.5578","","90","","90","","90","","145.395","","","","","","","","","","","","","3","P n 21 m","P -2 -2bc","31","","Cd (S O4)","","- Cd O4 S -","- Cd O4 S -","- Cd2 O8 S2 -","2","0.5","","Aurivillius, K.; Stalhandske, C.","Reinvestigation of the crystal structures of Hg S O4 and Cd S O4","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103539","7.685","","6.998","","9.549","","90","","90","","90","","513.542","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca2 Al F7","","- Al Ca2 F7 -","- Al Ca2 F7 -","- Al4 Ca8 F28 -","4","0.5","","Domesle, R.; Hoppe, R.","The crystal structure of Ca2 Al F7","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","317","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103552","4.058","","4.058","","13.109","","90","","90","","90","","215.871","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","K2 Zn F4","","- F4 K2 Zn -","- F4 K2 Zn -","- F8 K4 Zn2 -","2","0.0625","","Herdtweck, E.; Babel, D.","Verfeinerung der Kristallstrukturen von K2 Zn F4 und K3 Zn2 F7","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","189","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103553","4.06","","4.06","","21.171","","90","","90","","90","","348.974","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","K3 (Zn2 F7)","","- F7 K3 Zn2 -","- F7 K3 Zn2 -","- F14 K6 Zn4 -","2","0.0625","","Herdtweck, E.; Babel, D.","Verfeinerung der Kristallstrukturen von K2 Zn F4 und K3 Zn2 F7","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","189","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","145324","2020-10-21","18:00:00",""
"8103554","12.477","","4.685","","13.944","","90","","93.54","","90","","813.538","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba4 (Si6 O16)","","- Ba4 O16 Si6 -","- Ba4 O16 Si6 -","- Ba8 O32 Si12 -","2","0.5","","Hesse, K.F.; Liebau, F.","Crystal chemistry of silica-rich barium silicates refinement of the crystal structures of Ba4 (Si6 O16), Ba5 (Si8 O21) and Ba6 (Si10 O26), silicates with triple quadruple and quintuple chains","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","3","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","145326","2020-10-21","18:00:00",""
"8103555","32.675","","4.695","","13.894","","90","","98.1","","90","","2110.2","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba5 (Si8 O21)","","- Ba5 O21 Si8 -","- Ba5 O21 Si8 -","- Ba20 O84 Si32 -","4","0.5","","Hesse, K.F.; Liebau, F.","Crystal chemistry of silica-rich barium silicates refinement of the crystal structures of Ba4 (Si6 O16), Ba5 (Si8 O21) and Ba6 (Si10 O26), silicates with triple quadruple and quintuple chains","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","3","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","145327","2020-10-21","18:00:00",""
"8103556","20.196","","4.707","","13.842","","90","","98.61","","90","","1301.03","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba6 (Si10 O26)","","- Ba6 O26 Si10 -","- Ba6 O26 Si10 -","- Ba12 O52 Si20 -","2","0.5","","Hesse, K.F.; Liebau, F.","Crystal chemistry of silica-rich barium silicates refinement of the crystal structures of Ba4 (Si6 O16), Ba5 (Si8 O21) and Ba6 (Si10 O26), silicates with triple quadruple and quintuple chains","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","3","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","145328","2020-10-21","18:00:00",""
"8103557","23.195","","4.658","","13.613","","90","","97.57","","90","","1457.96","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba2 (Si4 O10)","","- Ba2 O10 Si4 -","- Ba2 O10 Si4 -","- Ba12 O60 Si24 -","6","0.75","","Hesse, K.F.; Liebau, F.","Crystal chemistry of silica-rich barium silicates refinement of the crystal structures of the layer silicates Ba2 (Si4 O10) (l) (Sanbornite), and Ba2 (Si4 O10) (H)","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","33","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","145329","2020-10-21","18:00:00",""
"8103569","5.632","","5.632","","14.02","","90","","90","","120","","385.127","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Fe (Zr F6)","","- F6 Fe Zr -","- F6 Fe Zr -","- F18 Fe3 Zr3 -","3","0.0833333","","Koehl, P.; Reinen, P.; Wanklyn, B.M.; Decher, G.","Strukturelle Modifikationen von Fe Zr F6","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","211","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103570","5.839","","22.474","","12.992","","90","","90.67","","90","","1704.77","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H2 C S3","","- C H2 S3 -","- C H2 S3 -","- C16 H32 S48 -","16","4","","Krebs, B.; Henkel, G.; Dinglinger, H.J.; Stehmeier, G.","Neubestimmung der Kristallstruktur von Trithiokohlensaeure alpha - H2 C S3 bei 140 K","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","285","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103577","14.405","","8.688","","10.082","","90","","95.84","","90","","1255.22","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li3 (V F6)","","- F6 Li3 V -","- F6 Li3 V -","- F72 Li36 V12 -","12","1.5","","Massa, W.","Die Kristallstruktur von beta - Li3 V F6","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","201","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103580","7.581","","8.32","","5.072","","90","","94.18","","90","","319.06","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Co2 Mg (P O4)2","","- Co2 Mg O8 P2 -","- Co2 Mg O8 P2 -","- Co4 Mg2 O16 P4 -","2","0.5","","Nord, A.G.; Stetanidis, T.","The cation distribution in two (Co, Mg)3 (P O4)2 solid solutions","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103581","7.586","","8.3","","5.074","","90","","94.19","","90","","318.624","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Co3 Mg3 (P O4)4","","- Co3 Mg3 O16 P4 -","- Co3 Mg3 O16 P4 -","- Co3 Mg3 O16 P4 -","1","0.25","","Nord, A.G.; Stetanidis, T.","The cation distribution in two (Co, Mg)3 (P O4)2 solid solutions","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103599","9.307","","9.307","","17.168","","90","","90","","120","","1287.86","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","(Zn (N H3)4) (I3)2","","- H12 I6 N4 Zn -","- H12 I6 N4 Zn -","- H36 I18 N12 Zn3 -","3","0.5","","Tebbe, K. F.","Untersuchungen von Polyhalogeniden, die Kristallstruktur des Tetramminzink(II)-Hexaiodids (Zn (N H3) 4) (I3)2","Zeitschrift fuer Kristallographie (149,1979-)","1980","153","","297","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""