ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=64751 Help
TitleThe derivate structure of silicate garnets in grandite.
AuthorsTakeuchi, Y.;Haga, N.;Umizu, S.;Sato, G.
ReferenceZeitschrift fuer Kristallographie (1982) 158, 53-99
Link XRef SCOPUS Google
CompoundAl0.84 Ca3 Fe1.16 O12 Si3 - [Andradite, aluminian] Tricalcium dialuminium silicate [A2B3C3X12] [oF320] [h8 f d c b a] []
Cell16.911(3), 11.963(2), 16.931(3), 90., 90., 90.
FDDDZ (70) V=3425.25
RemarksR=0.041000 : M =Andradite, aluminian : P =26-292 :
PDF 26-292 (cubic setting), about Gr68 An32
R(anisotropic)=0.038
Cell in I-setting: 11.8734(17), 11.8701(17), 11.8722(17), 90.00
Cubic average structure in Ia3-d has R=0.055 (aniso.: 0.052), a

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(32h)2
Ca2(8a)2
Ca3(8b)2
Al1(16c)3
Fe1(16c)3
Al2(16d)3
Fe2(16d)3
Si1(32h)4
Si2(16f)4
O1(32h)-2
O2(32h)-2
O3(32h)-2
O4(32h)-2
O5(32h)-2
O6(32h)-2
0.180.00-.060.371
0.120.120.120.411
0.370.370.370.351
0000.450.42
0000.450.58
0.5000.420.42
0.5000.420.58
0.31-.000.060.651
0.120.370.120.651
0.340.04-.300.591
0.350.030.300.571
0.040.650.000.521
0.440.450.090.571
0.050.460.100.61
0.250.840.290.571

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).