# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:32:37+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 = 189 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
"1000269","17.184","0.004","9.886","0.002","15.037","0.005","90","","124.32","0.02","90","","2109.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Caesium barium phyllo-dodecafluorotrichromate(III)","","- Ba Cr3 Cs F12 -","- Ba Cr3 Cs F12 -","- Ba8 Cr24 Cs8 F96 -","8","1","","Ferey, G; Renaudin, J; de Kozak, A; Mary, Y","Crystal chemistry, plane nets and arabic mosaics: the structure of CsBaCr~3~F~12~, a new MX~4~ network","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","181","190","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000485","6.843","0.001","6.843","0.001","12.001","0.003","90","","90","","90","","562","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Barium copper indium fluoride (1/1/1/7)","","- Ba Cu F7 In -","- Ba Cu F7 In -","- Ba4 Cu4 F28 In4 -","4","0.125","","de Kozak, A; Samouel, M; Renaudin, J; Ferey, G","Structure of Ba Cu In F7: The interpretation beween a pyrochlor-like edge-sharing network of octahedra and a defect fluorite structure","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","77","87","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008869","14.807","0.01","14.807","0.01","6.597","0.007","90","","90","","120","","1252.6","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Silver cyclohexaphosphate hydrate","","- Ag6 H2 O19 P6 -","- Ag6 H2.333 O19 P6 -","- Ag18 H6.999 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Crystal data and crystal structure of silver cyclohexaphosphate monohydrate: Ag6 P6 O18 * H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","17","23","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"8103454","9.275","","12.146","","3.0265","","90","","90","","90","","340.948","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Co3 B O5","","- B Co3 O5 -","- B Co3 O5 -","- B4 Co12 O20 -","4","0.5","","Sotofte, I.; Norrestam, R.; Thorup, N.; Nielsen, K.","Structural investigations of two synthetic oxyborates: The mixed magnesium-manganese and the pure cobalt ludwigites, Mg1.93(2) Mn1.07(2) O2 B O3 and Co3 O2 B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","33","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103462","9.37","","9.279","","3.181","","90","","85.65","","90","","275.773","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Mg0.76 Mn0.24) Mn O (B O3)","","- B Mg0.76 Mn1.24 O4 -","- B Mg0.76 Mn1.24 O4 -","- B4 Mg3.04 Mn4.96 O16 -","4","1","","Norrestam, R.","Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","1","11","10.1524/zkri.1989.189.1-2.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103463","9.49","","9.442","","3.2189","","90","","90","","90","","288.428","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Mg Sc O (B O3)","","- B Mg O4 Sc -","- B Mg O4 Sc -","- B4 Mg4 O16 Sc4 -","4","0.5","","Norrestam, R.","Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","1","11","10.1524/zkri.1989.189.1-2.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103466","9.202","","12.532","","2.993","","90","","90","","90","","345.151","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mg1.93 Mn1.07 B O5","","- B Mg1.93 Mn1.07 O5 -","- B Mg1.933 Mn1.067 O5 -","- B4 Mg7.732 Mn4.268 O20 -","4","0.5","","Nielsen, K.; Norrestam, R.; Thorup, N.; Sotofte, I.","Structural investigations of two synthetic oxyborates: The mixed magnesium-manganese and the pure cobalt ludwigites, Mg1.93(2) Mn1.07(2) O2 B O3 and Co3 O2 B O3","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","33","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8104330","13.074","","13.074","","6.62","","90","","90","","90","","1131.55","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Na2 (Al1.92 Si2.08) Si O10.04 (H2 O)1.96","","- Al1.92 H3.92 Na2 O12 Si3.08 -","- Al1.92 Na2 O12 Si3.08 -","- Al7.68 Na8 O48 Si12.32 -","4","0.25","","Pechar, F.","An X-ray determination of the crystal structure of natural tetragonal natrolite","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104333","10.438","","12.511","","7.112","","89.92","","99.75","","92.89","","914.152","","","","","","","","","","","","","7","P -1","-P 1","2","","(K1.85 Na0.15) (Ca3.6 Fe0.4) (Si7 O18 (O H)) (O H)","","- Ca3.6 Fe0.4 H2 K1.85 Na0.15 O20 Si7 -","- Ca3.6 Fe0.4 H K1.85 Na0.15 O20 Si7 -","- Ca7.2 Fe0.8 H2 K3.7 Na0.3 O40 Si14 -","2","1","","Rozhdestvenskaya, I.V.; Nikishova, L.V.; Lazebnik, Yu.D.; Lazebnik, K.A.","The crystal structure of tokkoite and its relation to the structure of tinaksite","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008397","10.438","","12.511","","7.112","","89.92","","99.75","","92.89","","914.152","","","","","","","","","","","","Murun massif, southwestern Yakutia, Russia","11","P -1","-P 1","2","","","Tokkoite","- Ca3.43 F0.61 Fe0.15 H1.39 K1.85 Mg0.06 Mn0.08 Na0.15 O19.39 Si7 Ti0.13 -","- Ca3.43 F0.61 Fe0.15 H1.39 K1.85 Mg0.06 Mn0.08 Na0.15 O19.39 Si7 Ti0.13 -","- Ca6.86 F1.22 Fe0.3 H2.78 K3.7 Mg0.12 Mn0.16 Na0.3 O38.78 Si14 Ti0.26 -","2","1","","Rozhdestvenskaya, I. V.; Nikishova, L. V.; Lazebnik Yu, D.; Lazebnik, K. A.","The crystal structure of tokkoite and its relation to the structure of tinaksite Locality: Murun massif, southwestern Yakutia, Russia Note: anisotropic temperature factors taken from ICSD","Zeitschrift fur Kristallographie","1989","189","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:22",""
"9011489","7.4141","","8.0886","","3.7458","","90","","90","","90","","224.634","","","","","","","","","","","","Synthetic","4","P b m n","-P 2ab 2ab","53","","","Eriochalcite","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Brownstein, S.; Han, N. F.; Gabe, E.; LePage, Y.","A redetermination of the crystal structure of cupric chloride dihydrate","Zeitschrift fur Kristallographie","1989","189","","13","15","10.1524/zkri.1989.189.1-2.13","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""