# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T15:00:46+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 = 156 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
"8103568","9.076","","9.076","","46.05","","90","","90","","120","","3285.1","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Rb2 (Hg (C N)4)","","- C4 Hg N4 Rb2 -","- C4 Hg N4 Rb2 -","- C48 Hg12 N48 Rb24 -","12","0.333333","","Kluefers, R.; Fuess, H.; Haussuehl, S.","X-ray and neutron diffraction studies of the ferroelectric phase of Rb2 Hg (C N)4","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","255","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103588","7.168","","5.771","","8.036","","90","","102.4","","90","","324.667","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb3 O2 (S O4)","","- O6 Pb3 S -","- O6 Pb3 S -","- O12 Pb6 S2 -","2","0.5","","Sahl, K.","Kristallstruktur von alpha-(Pb O)2 Pb (S O4)","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","209","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103602","10.909","","9.762","","9.45","","90","","90","","90","","1006.36","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tl2 (B4 O6 (O H)2) (H2 O)2","","- B4 H6 O10 Tl2 -","- B4 O10 Tl2 -","- B16 O40 Tl8 -","4","1","","Woller, K.H.; Heller, G.","Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten I. Die Struktur von Tl2 (B4 O6 (O H)2) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","151","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103603","11.275","","7.155","","13.928","","90","","94.16","","90","","1120.65","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tl (B5 O6 (O H)4) (H2 O)2","","- B5 H8 O12 Tl -","- B5 H8 O12 Tl -","- B20 H32 O48 Tl4 -","4","1","","Woller, K.H.; Heller, G.","Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten II. Die Struktur von Tl (B5 O6 (O H)4) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","187550","2020-10-21","18:00:00",""
"8104468","8.337","","10.724","","5.116","","90","","90","","90","","457.401","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Zn4 Si2 O7 (O H)2 (H2 O)","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Cooper, B.J.; Gibbs, G.V.; Ross, F.K.","The effects of heating and dehydration on the crystal structure of hemimorphite up to 600 degrees C","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","305","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","174102","2020-10-21","18:00:00",""
"8104494","8.268","","10.784","","5.113","","90","","90","","90","","455.886","","","","","","","","","","","","","4","I m m 2","I 2 -2","44","","Zn4 (Si2 O7) (O H)2","","- H2 O9 Si2 Zn4 -","- O9 Si2 Zn4 -","- O18 Si4 Zn8 -","2","0.25","","Cooper, B.J.; Ross, F.K.; Gibbs, G.V.","The effects of heating and dehydration on the crystal structure of hemimorphite up to 600 degrees C","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","305","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","174225","2020-10-21","18:00:00",""
"9008295","4.148","","11.48","","4.177","","90","","90","","90","","198.905","","","","905","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","Herzenbergite","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.25","","Schnering, H. G.; Wiedemeier, H.","The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 905 K","Zeitschrift fur Kristallographie","1981","156","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008296","4.31","","11.705","","4.318","","90","","90","","90","","217.837","","","","825","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.25","","Schnering, H. G.; Wiedemeier, H.","The high temperature structure of beta-SnS and beta-SnSe and the B16-to-B33 type gamma-transition path Sample: T = 825 K","Zeitschrift fur Kristallographie","1981","156","","143","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008297","5.29","","9.173","","9.46","","90.46","","98.68","","90.09","","453.774","","","","","","","","","","","","Harford County, Maryland, USA","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Talc","- H2 Mg3 O12 Si4 -","- H2 Mg3 O12 Si4 -","- H4 Mg6 O24 Si8 -","2","","","Perdikatsis, B.; Burzlaff, H.","Strukturverfeinerung am talk Mg3[(OH)2Si4O10]","Zeitschrift fur Kristallographie","1981","156","","177","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008298","9.88","","18.012","","5.324","","90","","105.26","","90","","914.045","","","","","","","","","","","","Untertiefenbach, Austria","10","C 1 2/m 1","-C 2y","12","","","Magnesiohastingsite","- Al2.06 Ca1.9 Fe1.654 H0.88 K0.35 Mg3.136 Na0.73 O24 Si5.94 Ti0.315 -","- Al2.06 Ca1.9 Fe1.654 H2 K0.35 Mg3.136 Na0.73 O24 Si5.94 Ti0.315 -","- Al4.12 Ca3.8 Fe3.308 H4 K0.7 Mg6.272 Na1.46 O48 Si11.88 Ti0.63 -","2","0.25","","Walitzi E M; Walter F","Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites","Zeitschrift fur Kristallographie","1981","156","","197","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9017356","4.812","","4.812","","16.02","","90","","90","","120","","321.251","","","","","","","","","","","","Pberdorf, Styria, Austria","6","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 -","- C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 -","- C6 Ca3 Fe0.15 Mg2.82 Mn0.03 O18 -","3","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017357","4.6526","","4.6526","","15.0257","","90","","90","","120","","281.68","","","","","","","","","","","","Tsumeb, Namibia","5","R -3 c :H","-R 3 2""c","167","","","Smithsonite","- C Fe0.02 Mg0.01 O3 Zn0.97 -","- C Fe0.02 Mg0.01 O3 Zn0.97 -","- C6 Fe0.12 Mg0.06 O18 Zn5.82 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017358","4.7682","","4.7682","","15.6354","","90","","90","","120","","307.857","","","","","","","","","","","","Alicante, Spain","5","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Fe0.06 Mg0.01 Mn0.93 O3 -","- C Fe0.06 Mg0.01 Mn0.93 O3 -","- C6 Fe0.36 Mg0.06 Mn5.58 O18 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017359","4.9896","","4.9896","","17.061","","90","","90","","120","","367.846","","","","","","","","","","","","Iceland","4","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca0.99 Mg0.01 O3 -","- C Ca0.99 Mg0.01 O3 -","- C6 Ca5.94 Mg0.06 O18 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017360","4.6328","","4.6328","","15.0129","","90","","90","","120","","279.05","","","","","","","","","","","","Oberdorf, Styria, Austria","4","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Fe0.01 Mg0.99 O3 -","- C Fe0.01 Mg0.99 O3 -","- C6 Fe0.06 Mg5.94 O18 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017361","4.6916","","4.6916","","15.3796","","90","","90","","120","","293.169","","","","","","","","","","","","Ivigtut, Greenland","4","R -3 c :H","-R 3 2""c","167","","","Siderite","- C Fe0.95 Mn0.05 O3 -","- C Fe0.95 Mn0.05 O3 -","- C6 Fe5.7 Mn0.3 O18 -","6","0.166667","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""