# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:30:41+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 = 166 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
"8104350","7.3585","","5.0334","","15.95","","90","","90.778","","90","","590.706","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs0.35 (Al0.35 Si2.65 O6)","","- Al0.35 Cs0.35 O6 Si2.65 -","- Al0.3501 Cs0.35 O6 Si2.6499 -","- Al1.4004 Cs1.4 O24 Si10.5996 -","4","2","","Annehed, H.; Faelth, L.","The crystal structure of Cs0.35 Al0.35 Si2.65 O6, a cesium aluminosilicate with the bikitaite framework","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","173048","2020-10-21","18:00:00",""
"8104356","15.087","","15.087","","15.087","","90","","90","","90","","3434.07","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Na15.6 Ca3.84 (Si12 O36)","","- Ca3.84 Na15.6 O36 Si12 -","- Ca3.89 Na15.58 O36 Si12 -","- Ca15.56 Na62.32 O144 Si48 -","4","0.166667","","Fischer, R.X.; Tillmanns, E.","Die Kristallstruktur von Na4 Ca Si3 O9 und dessen strukturelle Beziehungen zu K4 Sr Ge3 O9 und Ca3 Al2 O6","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","245","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","173103","2020-10-21","18:00:00",""
"8104379","4.24","","4.24","","47.84","","90","","90","","120","","744.824","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd7 I14 -","7","1.16667","","Sarna, I.; Chadha, G.K.; Trigunayat, G.C.","Crystal structure of a fourteen-layered cadmium iodide polytype","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","311","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104392","10.624","","9.359","","16.275","","90","","110.72","","90","","1513.56","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ba2 Ni (N3)6 (H2 O)3","","- Ba2 H6 N18 Ni O3 -","- Ba2 H6 N18 Ni O3 -","- Ba8 H24 N72 Ni4 O12 -","4","1","","Walitzi, E. M.; Saracoglu, A. I.; Krischner, H.","Die Kristallstruktur von Ba~2~Ni(N~3~)~6~ (H~2~O)~3~","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","257","261","10.1524/zkri.1984.166.3-4.257","","","","","","","","","","","","","","","","","","","","","has coordinates","189515","2020-10-21","18:00:00",""
"8104393","11.389","","11.389","","21.773","","90","","90","","90","","2824.16","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","Zn Br2","","- Br2 Zn -","- Br2 Zn -","- Br64 Zn32 -","32","1","","Chieh, C.; White, M.A.","Crystal structure of anhydrous zinc bromide","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","189","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104415","7.87","","9.42","","11.282","","103.84","","93.43","","80.88","","801.637","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cs8 Ga4 Se10 -","- Cs8 Ga4 Se10 -","- Cs8 Ga4 Se10 -","1","0.5","","Deiseroth, H.J.","Ungewoehnliche lineare, oligomere Anionen (Ga(n)Se(2n+2))(n+4)(-) (n=2,4,6) in festen Selenogallaten des Caesiums","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","283","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104424","18.233","","12.889","","9.668","","90","","108.2","","90","","2158.36","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cs10 Ga6 Se14 -","- Cs10 Ga6 Se14 -","- Cs20 Ga12 Se28 -","2","0.25","","Deiseroth, H.J.","Ungewoehnliche lineare, oligomere Anionen (Ga(n)Se(2n+2))(n+4)(-) (n=2,4,6) in festen Selenogallaten des Caesiums","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","283","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104427","10.781","","10.781","","10.781","","90","","90","","90","","1253.07","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","C6 (C N)6","","- C12 N6 -","- C12 N6 -","- C48 N24 -","4","0.166667","","Drueck, U.; Kutoglu, A.","Experimental difference densities of hexacyanobenzene at 120 K. Refinement of electron density distributions with charge-cloud models","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","233","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","173846","2020-10-21","18:00:00",""
"8104484","12.019","","11.415","","6.488","","90","","90","","90","","890.133","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo (C O)6","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","","Mak, T.C.W.","Crystal structure of molybdenum hexacarbonyl","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104506","9.349","","8.929","","5.361","","90","","90","","90","","447.521","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Murakami, T.; Takeuchi, Y.; Yamanaka, T.","X-ray studies on protoenstatite II. Effect of temperature on the structure up to near the incongruent melting point","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104507","10.185","","4.713","","5.865","","90","","91.09","","90","","281.48","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.65 Co0.35)3 (P O4)2","","- Co1.05 Ni1.95 O8 P2 -","- Co1.05 Ni1.95 O8 P2 -","- Co2.1 Ni3.9 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8104508","10.247","","4.728","","5.889","","90","","91.07","","90","","285.259","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.35 Co0.65)3 (P O4)2","","- Co1.95 Ni1.05 O8 P2 -","- Co1.95 Ni1.05 O8 P2 -","- Co3.9 Ni2.1 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8104509","10.267","","4.726","","5.961","","90","","90.82","","90","","289.209","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","(Ni0.70 Mn0.30)3 (P O4)2","","- Mn0.9 Ni2.1 O8 P2 -","- Mn0.9 Ni2.1 O8 P2 -","- Mn1.8 Ni4.2 O16 P4 -","2","0.5","","Nord, A.G.","Crystallographic studies of olivine-related sarcopside-type solutions","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","159","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"9008314","4.8818","","7.809","","10.127","","90","","90.16","","90","","386.06","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bergslagite","- As Be Ca H O5 -","- As Be Ca H O5 -","- As4 Be4 Ca4 H4 O20 -","4","1","","Hansen, S.; Falth, L.; Johnson, O.","Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions Note: anisoB's from ICSD","Zeitschrift fur Kristallographie","1984","166","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9011448","5.398","","8.416","","4.497","","90","","90","","90","","204.297","","","","","","","","","","","","Synthetic","3","P n m n","-P 2n 2n","58","","","Kotoite","- B2 Mg3 O6 -","- B2 Mg3 O6 -","- B4 Mg6 O12 -","2","0.25","","Effenberger, H.; Pertlik, F.","Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)","Zeitschrift fur Kristallographie","1984","166","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011449","5.658","","8.74","","4.646","","90","","90","","90","","229.749","","","","","","","","","","","","Synthetic","3","P n m n","-P 2n 2n","58","","","Jimboite","- B2 Mn3 O6 -","- B2 Mn3 O6 -","- B4 Mn6 O12 -","2","0.25","","Effenberger, H.; Pertlik, F.","Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)","Zeitschrift fur Kristallographie","1984","166","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011450","5.462","","8.436","","4.529","","90","","90","","90","","208.685","","","","","","","","","","","","","3","P n m n","-P 2n 2n","58","","","","- B2 Co3 O6 -","- B2 Co3 O6 -","- B4 Co6 O12 -","2","0.25","","Effenberger, H.; Pertlik, F.","Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)","Zeitschrift fur Kristallographie","1984","166","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011451","5.396","","8.297","","4.459","","90","","90","","90","","199.632","","","","","","","","","","","","","3","P n m n","-P 2n 2n","58","","","","- B2 Ni3 O6 -","- B2 Ni3 O6 -","- B4 Ni6 O12 -","2","0.25","","Effenberger, H.; Pertlik, F.","Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)","Zeitschrift fur Kristallographie","1984","166","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9017363","13.783","","13.783","","11.19","","90","","90","","120","","1840.98","","","","","","","","","","","","Synthetic","2","P 6/m m m","-P 6 2","191","","","Bosoite","- O34 Si17 -","- O68 Si34 -","- O68 Si34 -","","","","Gerke, H.; Gies, H.","Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica","Zeitschrift fur Kristallographie","1984","166","","11","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""