# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T01:24:07+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 'Zeitschrift fur Kristallographie') AND volume = 172 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
"1008321","11.67","0.01","11.67","0.01","12.12","0.01","90","","90","","120","","1429.5","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Bis(sodium cyclo-triphosphate) hexaoxotelluric acid hexahydrat","","- H18 Na6 O30 P6 Te -","- H24 Na6 O30 P6 Te -","- H48 Na12 O60 P12 Te2 -","2","0.166667","","Boudjada, N; Lambert Andron, B","Neutron structural refinement of Te (O H)~6~ (Na~3~ P~3~ O~9~)~2~ (H~2~ O)~6~, study of hydrogen bonds","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","45","53","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"8104375","12.767","","12.767","","6.727","","90","","90","","90","","1096.48","","","","","","","","","","","","","4","I 1 1 2","I 2","5","","Rb2 Ga2 Ge3 O10","","- Ga2 Ge3 O10 Rb2 -","- Ga2 Ge3 O10 Rb2 -","- Ga8 Ge12 O40 Rb8 -","4","1","","Klaska, K.H.; Jarchow, O.","Die Kristallstruktur von Rb2 (Ga2 Ge3 O10), ein Rubidium-Galliumgermanat mit Natrolith-Geruest","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104428","5.106","","8.409","","9.052","","115.76","","90.09","","106.01","","333.132","","","","","","","","","","","","","5","P -1","-P 1","2","","Na5 Cu3 (P O4)2 (H (P O4)2)","","- Cu3 H Na5 O16 P4 -","- Cu3 Na5 O16 P4 -","- Cu3 Na5 O16 P4 -","1","0.5","","Effenberger, H.","Synthesis and crystal structure of Na5 Cu3 (P O4)2 (P O4 H P O4)","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104435","7.208","","6.603","","12.823","","90","","117.4","","90","","541.837","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nd Ga Ge2 O7","","- Ga Ge2 Nd O7 -","- Ga Ge2 Nd O7 -","- Ga4 Ge8 Nd4 O28 -","4","1","","Jarchow, O.; Klaska, K.H.","Die Kristallstrukturen von Nd Al Ge2 O7 und Nd Ga Ge2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104436","18.387","","4.2497","","13.254","","90","","108.1","","90","","984.409","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Bi5 O7 I","","- Bi5 I O7 -","- Bi5 I O7 -","- Bi20 I4 O28 -","4","0.5","","Ketterer, J.; Keller, E.; Kraemer, V.","Crystal structure of bismuth oxide iodide, beta-Bi5 O7 I","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","63","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104467","5.427","","16.225","","9.43","","90","","105.31","","90","","800.873","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(N H4)2 S5","","- H8 N2 S5 -","- H8 N2 S5 -","- H32 N8 S20 -","4","1","","von Schnering, H.G.; Goh, N.K.; Peters, K.","Crystal structure of diammoniumpentasulfide (N H4)2 S5","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","153","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","174096","2020-10-21","18:00:00",""
"8104489","14.5661","","4.0353","","13.8633","","90","","110.581","","90","","762.857","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","As5 Te7 I","","- As5 I Te7 -","- As5 I Te7 -","- As10 I2 Te14 -","2","0.25","","Stergiou, A.C.; Rentzeperis, P.J.","The crystal structure of arsenic telluroiodide, As5 Te7 I","Zeitschrift fuer Kristallographie (149,1979-)","1985","172","","111","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008366","33.083","","7.027","","18.499","","90","","94.12","","90","","4289.43","","","","","","","","","","","","Synthetic","3","C 1 m 1","C -2y","8","","","Hatrurite","- Ca27 O45 Si9 -","- Ca27 O45 Si9 -","- Ca108 O180 Si36 -","4","1","","Nishi, F.; Takeuchi, Y.; Maki, I.","Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure","Zeitschrift fur Kristallographie","1985","172","3-4","297","314","10.1524/zkri.1985.172.3-4.297","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9011468","7.6648","","7.7914","","2.9213","","90","","90","","90","","174.459","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Al2.5 Ge0.486 Nd0.029 O4.855 Pb0.083 -","- Al2.5 Ge0.486 Nd0.0286 O4.855 Pb0.0828 -","- Al5 Ge0.972 Nd0.0572 O9.71 Pb0.1656 -","2","0.5","","Saalfeld, H.; Klaska, K. H.","A Pb/Nd-stabilized mullite of the composition Al5.03Ge0.97Pb0.15Nd0.06O9.71","Zeitschrift fur Kristallographie","1985","172","","129","133","10.1524/zkri.1985.172.1-2.129","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011469","13.473","","13.473","","9.001","","90","","90","","120","","1414.98","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Hesse, K. F.","Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4","Zeitschrift fur Kristallographie","1985","172","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011470","13.471","","13.471","","8.998","","90","","90","","120","","1414.09","","","","","","","","","","","","Zimbabwae","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Hesse, K. F.","Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4","Zeitschrift fur Kristallographie","1985","172","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9017368","14.3573","","4.0199","","9.899","","90","","95.107","","90","","569.052","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Kalgoorlieite","- As2 Te3 -","- As8 Te12 -","- As8 Te12 -","","","","Stergiou, A. C.; Rentzeperis, P. J.","Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3","Zeitschrift fur Kristallographie","1985","172","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""