# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:37:01+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 fur Kristallographie') AND volume = 168 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
"8103484","7.165","","7.165","","17.68","","90","","90","","120","","786.041","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Ca (B3 O6)2","","- B6 Ba2 Ca O12 -","- B6 Ba2 Ca O12 -","- B18 Ba6 Ca3 O36 -","3","0.166667","","Liebertz, J.; Froehlich, R.","Struktur und Kristallchemie von Ba2 M(B3 O6)2 mit M=Ca,Cd,Mg,Co und Ni","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","293","297","10.1524/zkri.1984.168.1-4.293","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8104362","7.428","","7.428","","6.59","","90","","90","","90","","363.604","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Pb0.5 Th0.5 (V O4)","","- O4 Pb0.5 Th0.5 V -","- O4 Pb0.5 Th0.5 V -","- O16 Pb2 Th2 V4 -","4","0.125","","Andreetti, G.D.; Calestani, G.; Montenero, A.","The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-, zircon- and huttonite-type structure","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104367","7.135","","7.135","","25.586","","90","","90","","120","","1128.03","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Ca3 (Si O4) O","","- Ca3 O5 Si -","- Ca3 O4.9864 Si -","- Ca27 O44.8776 Si9 -","9","0.5","","Nishi, F.; Takeuchi, Y.","The rhombohedral structure of tricalcium silicate at 1200 degrees C","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","197","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104376","5.506","","12.449","","15.672","","90","","90","","90","","1074.22","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na N H2 S O3","","- H2 N Na O3 S -","- H2 N Na O3 S -","- H24 N12 Na12 O36 S12 -","12","3","","Manickkavachagam, R.; Rajaram, R.K.","Crystal structure of anhydrous sodium sulphamate","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104403","5.175","","5.175","","11.943","","90","","90","","90","","319.841","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Pb0.5 Th0.5 (V O4)","","- O4 Pb0.5 Th0.5 V -","- O4 Pb0.5 Th0.5 V -","- O16 Pb2 Th2 V4 -","4","0.25","","Andreetti, G.D.; Calestani, G.; Montenero, A.","The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-, zircon- and huttonite-type structure","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104426","11.537","","9.694","","11.245","","90","","90","","90","","1257.64","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","K H (Si O3)","","- H K O3 Si -","- H K O3 Si -","- H16 K16 O48 Si16 -","16","1","","Dent Glasser, L.S.; Howie, R.A.; Xi Yaozhong","A re-investigation of the crystal structure of potassium hydrogen metasilicate, K H Si O3","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104462","7.046","","7.3089","","6.8066","","90","","105.8","","90","","337.286","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pb0.5 Th0.5 (V O4)","","- O4 Pb0.5 Th0.5 V -","- O4 Pb0.5 Th0.5 V -","- O16 Pb2 Th2 V4 -","4","1","","Andreetti, G.D.; Calestani, G.; Montenero, A.","The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-, zircon- and huttonite-type structure","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","41","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104472","17.94","","6.742","","6.795","","90","","90","","90","","821.865","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Cu (P O4)","","- Cu K O4 P -","- Cu K O4 P -","- Cu8 K8 O32 P8 -","8","1","","Effenberger, H.","Synthese und Kristallstruktur des rhombischen Kalium-kupfer(II)-phosphates K Cu P O4","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9011452","15.409","","7.322","","7.063","","90","","95.3","","90","","793.474","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Wollastonite-2M","- Ca O3 Si -","- Ca O3 Si -","- Ca12 O36 Si12 -","12","3","","Hesse, K.-F.","Refinement of the crystal structure of wollastonite-2M (parawollastonite)","Zeitschrift fur Kristallographie","1984","168","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011453","9.303","","9.303","","22.57","","90","","90","","120","","1691.64","","","","","","","","","","","","Langban, Warmland, Sweden","7","P -3 c 1","-P 3 2""c","165","","","Wermlandite","- Al1.14 Ca0.6 Fe0.86 H42 Mg7.4 O38 S2 -","- Al1.14 Ca0.6 Fe0.86 H42 Mg7.4 O38 S2 -","- Al2.28 Ca1.2 Fe1.72 H84 Mg14.8 O76 S4 -","2","0.166667","","Rius, J.; Allmann, R.","The superstructure of the double layer mineral wermlandite [Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-","Zeitschrift fur Kristallographie","1984","168","","133","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011454","7.135","","7.135","","25.586","","90","","90","","120","","1128.03","","","","1473.15","","","","","","","","Synthetic","3","R 3 m :H","R 3 -2""","160","","","Hatrurite","- Ca3 O4.987 Si -","- Ca3 O4.98664 Si -","- Ca27 O44.8798 Si9 -","9","0.5","","Nishi, F.; Takeuchi, Y.","The rhombohedral structure of tricalcium silicate at 1200 C Sample: T = 1200 C Note: cannot reconcile reported structure with reported bond lengths","Zeitschrift fur Kristallographie","1984","168","1-4","197","212","10.1524/zkri.1984.168.1-4.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""