# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:39:30+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 = 157 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
"8103543","5.723","","5.723","","14.023","","90","","90","","120","","397.758","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ti0.88 Pt0.12) O3","","- Ba O3 Pt0.12 Ti0.88 -","- Ba O3 Pt0.12 Ti0.88 -","- Ba6 O18 Pt0.72 Ti5.28 -","6","0.25","","Fischer, R.; Tillmanns, E.","Synthese und Kristallstruktur von zwei Bariumtitanplatinoxiden Ba (Ti, Pt) O3 und Ba4 (Ti, Pt)2 Pt O10","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","69","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103544","5.783","","13.368","","13.129","","90","","90","","90","","1014.97","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba4 (Ti1.81 Pt0.19) Pt O10","","- Ba4 O10 Pt1.19 Ti1.81 -","- Ba4 O10 Pt1.19 Ti1.81 -","- Ba16 O40 Pt4.76 Ti7.24 -","4","","","Fischer, R.; Tillmanns, E.","Synthese und Kristallstruktur von zwei Bariumtitanplatinoxiden Ba (Ti, Pt) O3 und Ba4 (Ti, Pt)2 Pt O10","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","69","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","145111","2020-10-21","18:00:00",""
"8103549","6.285","","6.364","","11.647","","94.61","","98.51","","103.93","","443.898","","","","","","","","","","","","","3","P 1","P 1","1","","Tl3 (Sb S4)","","- S4 Sb Tl3 -","- S4 Sb Tl3 -","- S8 Sb2 Tl6 -","2","2","","Gostojic, M.; Engel, P.; Nowacki, W.","The crystal structure of synthetic Tl3 Sb S4","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","299","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103551","7.212","","17.952","","9.475","","90","","108.6","","90","","1162.65","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pb (N O3)2 (S C (N H2)2)2","","- C2 H8 N6 O6 Pb S2 -","- C2 N6 O6 Pb S2 -","- C8 N24 O24 Pb4 S8 -","4","1","","Herbstein, F. H.","Crystal structure of bis(thiourea) lead(II) nitrate Pb(NO~3~)~2~ (SC(NH~2~)~2~)~2~","Zeitschrift für Kristallographie","1981","157","","39","46","10.1524/zkri.1981.157.1-2.39","","","","","","","","","","","","","","","","","","","","","has coordinates","209191","2020-10-21","18:00:00",""
"8103560","8.178","","12.865","","7.109","","93.53","","116.21","","89.92","","669.485","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Na.685 Ca.347 Al1.46 Si2.54 O8","","- Al1.46 Ca0.347 Na0.685 O8 Si2.54 -","- Al1.46 Ca0.347 Na0.685 O8 Si2.54 -","- Al5.84 Ca1.388 Na2.74 O32 Si10.16 -","4","","","Horst, W.; Tagai, T.; Korekawa, M.; Jagodzinski, H.","Modulated structure of a plagioclase An52: Theory and structure determination","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","233","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103573","6.5345","","10.8192","","11.4537","","99.78","","89.31","","94.55","","795.471","","","","","","","","","","","","","5","P -1","-P 1","2","","K4 (Ni (N3)6) (H2 O)2","","- H4 K4 N18 Ni O2 -","- H4 K4 N18 Ni O2 -","- H8 K8 N36 Ni2 O4 -","2","1","","Maier, H. E.; Krischner, H.; Paulus, H.","Kristallstrukturen komplexer Alkali-Nickel-Azidhydrate","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","277","289","10.1524/zkri.1981.157.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","189497","2020-10-21","18:00:00",""
"8103574","6.7161","","10.9837","","11.8083","","99.81","","89.41","","94.91","","855.176","","","","","","","","","","","","","5","P -1","-P 1","2","","Rb4 Ni (N3)6 (H2 O)2","","- H4 N18 Ni O2 Rb4 -","- H4 N18 Ni O2 Rb4 -","- H8 N36 Ni2 O4 Rb8 -","2","1","","Maier, H. E.; Krischner, H.; Paulus, H.","Kristallstrukturen komplexer Alkali-Nickel-Azidhydrate","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","277","289","10.1524/zkri.1981.157.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","189514","2020-10-21","18:00:00",""
"8103575","6.9946","","11.162","","12.4888","","100.18","","89.31","","95.12","","955.861","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs4 Ni (N3)6 (H2 O)2","","- Cs4 H4 N18 Ni O2 -","- Cs4 H4 N18 Ni O2 -","- Cs8 H8 N36 Ni2 O4 -","2","1","","Maier, H. E.; Krischner, H.; Paulus, H.","Kristallstrukturen komplexer Alkali-Nickel-Azidhydrate","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","277","289","10.1524/zkri.1981.157.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","189514","2020-10-21","18:00:00",""
"8103576","17.3355","","11.2494","","11.2913","","90","","90","","90","","2201.96","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs2 Ni (N3)4 (H2 O)","","- Cs2 H2 N12 Ni O -","- Cs2 H2 N12 Ni O -","- Cs16 H16 N96 Ni8 O8 -","8","1","","Maier, H. E.; Krischner, H.; Paulus, H.","Kristallstrukturen komplexer Alkali-Nickel-Azidhydrate","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","277","289","10.1524/zkri.1981.157.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","189514","2020-10-21","18:00:00",""
"8103582","7.04","","7.88","","5.085","","90","","97.98","","90","","279.36","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 (B2 (O2)2 (O H)4)","","- B2 H4 Li2 O8 -","- B2 H4 Li2 O8 -","- B4 H8 Li4 O16 -","2","0.5","","Pawel, A.; Heller, G.; Pickardt, J.","Die Kristallstruktur des Dilithium tetrahydroxo-di-mue-peroxo-diborats (Lithiumperoxoborats), Li2 (B2 (O2)2 (O H)4)","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","251","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103604","7.605","","7.102","","13.568","","89.95","","94.39","","103.53","","710.28","","","","","","","","","","","","","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","Ca0.228 Mn0.772 Si O3","","- Ca0.228 Mn0.772 O3 Si -","- Ca0.228333 Mn0.771667 O3 Si -","- Ca2.74 Mn9.26 O36 Si12 -","12","","","Yamanaka, T.; Takeuchi, Y.","X-ray study of the Rhodonite-Bustamite transformation","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","131","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104370","9.73","","7.301","","6.88","","90","","92.15","","90","","488.402","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(Co (P O4) (N H3)4) (H2 O)3","","- Co H14 N4 O7 P -","- Co H14 N4 O7 P -","- Co2 H28 N8 O14 P2 -","2","1","","Solans, X.; Rius, J.; Miravitlles, C.","The crystal and molecular structure of (Co (P O4) (N H3)4) (H2 O)3","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","207","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008299","12.248","","12.248","","12.248","","90","","90","","90","","1837.36","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H28 N O20 S2 -","- Al H28 N O20 S2 -","- Al4 H112 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Note: Neutron data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9008300","5.294","","5.294","","13.355","","90","","90","","120","","324.147","","","","","","","","","","","","Synthetic","4","P 63/m m c","-P 6c 2c","194","","","Fairchildite","- C2 Ca K2 O6 -","- C2 Ca K2 O6 -","- C4 Ca2 K4 O12 -","2","0.0833333","","Pertlik, F.","Structural investigations of synthetic fairchildite, K2Ca(CO3)2 Note: y(O1) changed to satisfy symmetry constraints","Zeitschrift fur Kristallographie","1981","157","","199","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9011442","12.314","","12.314","","12.314","","90","","90","","90","","1867.23","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","methylammonium aluminium alum","","","- C H30 Al N O20 S2 -","- C H30 Al N O20 S2 -","- C4 H120 Al4 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: neutron data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011443","12.322","","12.322","","12.322","","90","","90","","90","","1870.87","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","methylammonium aluminium alum","","","- C H30 Al N O20 S2 -","- C H30 Al N O20 S2 -","- C4 H120 Al4 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","x-ray","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9011444","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H28 N O20 S2 -","- Al H28 N O20 S2 -","- Al4 H112 N4 O80 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Locality: synthetic Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","3-4","147","166","10.1524/zkri.1981.157.3-4.147","","x-ray","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"9013901","8.286","","6.673","","9.743","","86.58","","111.1","","99.74","","495.351","","","","","","","","","","","","Sainte-Marie-aux-Mines (Alsace), France","4","P -1","-P 1","2","","","","- As2 Ca2.5 H8 O10.5 -","- As2 Ca2.5 H5 O10.5 -","- As4 Ca5 H10 O21 -","2","1","","Catti, M.; Ivaldi, G.","Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) -> Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter phase Note: formed by dehydrating ferrarisite at 60 C Locality: Sainte-Marie-aux-Mines (Alsace), France","Zeitschrift fur Kristallographie","1981","157","","119","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9017362","12.242","","12.242","","12.242","","90","","90","","90","","1834.67","","","","","","","","","","","","Synthetic","6","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H24 N O12 Os8 S2 -","- Al H24 N O12 Os8 S2 -","- Al4 H96 N4 O48 Os32 S8 -","4","0.166667","","Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.","X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data","Zeitschrift fur Kristallographie","1981","157","","147","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""