# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-09T01:59:04+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 = 200 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
"8103956","5.129","","5.129","","5.129","","90","","90","","90","","134.927","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(N2 H7) I","","- H7 I N2 -","- H I N1.998 -","- H I N1.998 -","1","0.0208333","","Berthold, H.J.; Vonholdt, E.; Wartchow, R.; Vogt, T.","X-ray and neutron diffraction investigation at 298 K of N H4 I * N H3 and N D4 I * N D3 containing the cation H3 N-H...N H3+ and D3 N-D...N D3+","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","225","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103968","9.227","","12.218","","2.984","","90","","90","","90","","336.403","","","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","(Mg1.92 Fe0.0825) (Fe0.566 Al0.41 Ti0.02) O2 (B O3)","","- Al0.41 B Fe0.6485 Mg1.92 O5 Ti0.02 -","- Al0.414 B Fe0.6485 Mg1.9175 O5 Ti0.02 -","- Al1.656 B4 Fe2.594 Mg7.67 O20 Ti0.08 -","4","0.5","","Takeuchi, Y.; Kogure, T.","The structure type of ludwigite","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","161","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103969","12.921","","12.921","","12.921","","90","","90","","90","","2157.19","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo Cl)6 Cl8)","","- Cl14 Mo6 Pb -","- Cl14 Mo6 Pb -","- Cl56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe Pb Mo6 X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103970","13.504","","13.504","","13.504","","90","","90","","90","","2462.56","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo6 Br8) Br6)","","- Br14 Mo6 Pb -","- Br14 Mo6 Pb -","- Br56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe PbMo6X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103971","14.429","","14.429","","14.429","","90","","90","","90","","3004.06","","","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","Pb ((Mo6 I8) I6)","","- I14 Mo6 Pb -","- I14 Mo6 Pb -","- I56 Mo24 Pb4 -","4","0.166667","","Boeschen, S.; Keller, H.L.","Darstellung und Kristallstruktur der homologen Reihe PbMo6X14, X = Cl, Br, I","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","305","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104087","13.864","","8.708","","6.917","","90","","90","","90","","835.074","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cd (O H) N O3 (H2 O)","","- Cd H3 N O5 -","- Cd H3 N O5 -","- Cd8 H24 N8 O40 -","8","1","","Padeste, C.; Schmalle, H.W.; Oswald, H.R.","Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","35","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104088","13.958","","8.817","","14.402","","90","","90","","90","","1772.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca (O H) N O3 (H2 O)","","- Ca H3 N O5 -","- Ca H3 N O5 -","- Ca16 H48 N16 O80 -","16","2","","Padeste, C.; Schmalle, H.W.; Oswald, H.R.","Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","35","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104091","24.5","","8.662","","5.211","","90","","100.13","","90","","1088.63","","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Na10.16 (Ti7.44 Nb0.56) O8 (Si2 O6)4 (Si3 Al0.6 Be0.4 O10)2 (H2 O)5.8","","- Al1.2 Be0.8 H11.6 Na10.16 Nb0.56 O57.8 Si14 Ti7.44 -","- Al1.2 Be0.8 Na10.16 Nb0.56 O57.784 Si14 Ti7.44 -","- Al1.2 Be0.8 Na10.16 Nb0.56 O57.784 Si14 Ti7.44 -","1","0.125","","Kalsbeek, N.; Ronsbo, J.G.","Refinement of the vinogradovite structure, positioning of Be and excess Na","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","237","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104188","10.1747","","10.1747","","10.1747","","90","","90","","90","","1053.33","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Francois, M.; Gougeon, P.; Alexandrov, O.V.; Ben Yaich-Aerrache, H.; Yvon, K.; Potel, M.; Sergent, M.","Structural phase transition in Ga Mo4 Se8 and Al Mo4 S8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104190","9.7185","","9.7185","","9.7185","","90","","90","","90","","917.905","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Al Mo4 S8 -","- Al Mo4 S8 -","- Al4 Mo16 S32 -","4","0.0416667","","Francois, M.; Alexandrov, O.V.; Yvon, K.; Gougeon, P.; Ben Yaich-Aerrache, H.; Sergent, M.; Potel, M.","Structural phase transition in GaMo4Se8 and AlMo4S8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104192","7.1537","","7.1537","","7.1537","","60.572","","60.572","","60.572","","262.212","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","1","0.166667","","Francois, M.; Yvon, K.; Alexandrov, O.V.; Gougeon, P.; Ben Yaich-Aerrache, H.; Potel, M.; Sergent, M.","Structural phase transition in Ga Mo4 Se8 and Al Mo4 S8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104195","6.85","","6.85","","6.85","","60.374","","60.374","","60.374","","229.2","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","","","- Al Mo4 S8 -","- Al Mo4 S8 -","- Al Mo4 S8 -","1","0.166667","","Francois, M.; Ben Yaich-Aerrache, H.; Alexandrov, O.V.; Yvon, K.; Potel, M.; Gougeon, P.; Sergent, M.","Structural phase transition in Ga Mo4 Se8 and Al Mo4S 8 by X-ray powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9008412","10.16","","10.001","","19.973","","90","","91.56","","90","","2028.71","","","","","","","","","","","","Sattelberg scoria cone, Kruft, Eifel district, Germany","4","C 1 2/c 1","-C 2yc","15","","","Liebauite","- Ca3 Cu5 O26 Si9 -","- Ca3 Cu5 O26 Si9 -","- Ca12 Cu20 O104 Si36 -","4","0.5","","Zoller, M. H.; Tillmanns, E.; Hentschel, G.","Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain","Zeitschrift fur Kristallographie","1992","200","","115","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008413","24.49","","8.657","","5.203","","90","","100.15","","90","","1085.82","","","","110","","","","","","","","Ilimaussaq, Southern Greenland","8","C 1 2/c 1","-C 2yc","15","","","Vinogradovite","- Al0.15 Be0.1 H3 Na1.27 Nb0.07 O7.219 Si1.75 Ti0.93 -","- Al0.15 Be0.1 H1.438 Na1.27 Nb0.07 O7.219 Si1.75 Ti0.93 -","- Al1.2 Be0.8 H11.504 Na10.16 Nb0.56 O57.752 Si14 Ti7.44 -","8","1","","Kalsbeek, N.; Ronsbo, J. G.","Refinement of the vinogradovite structure, positioning of Be and excess Na Note: T = 110 K","Zeitschrift fur Kristallographie","1992","200","","237","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9008414","24.5","","8.662","","5.211","","90","","100.13","","90","","1088.63","","","","295","","","","","","","","Ilimaussaq, Southern Greenland","8","C 1 2/c 1","-C 2yc","15","","","Vinogradovite","- Al0.15 Be0.1 H3 Na1.27 Nb0.07 O7.223 Si1.75 Ti0.93 -","- Al0.15 Be0.1 H1.446 Na1.27 Nb0.07 O7.223 Si1.75 Ti0.93 -","- Al1.2 Be0.8 H11.568 Na10.16 Nb0.56 O57.784 Si14 Ti7.44 -","8","1","","Kalsbeek, N.; Ronsbo, J. G.","Refinement of the vinogradovite structure, positioning of Be and excess Na Note: T = 295 K","Zeitschrift fur Kristallographie","1992","200","","237","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""