Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
ICSD for WWW : Details

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=77718 Help
TitleAn anomaly in the hydrogen-bond system in mixed deuterated magnesium-iron fluosilicates.
AuthorsChevrier, G.
ReferenceJournal of Solid State Chemistry (1994) 111, 322-329
Link XRef SCOPUS SCIRUS Google
CompoundD12 F6 Fe0.17 Mg0.83 O6 Si1 - Magnesium iron hexafluorosilicate dideuteriohydrate (0.83/0.17/1/6) [ABX6Y6] [hR26] [f4 b a] []
Cell9.567(10), 9.567(10), 9.717(12), 90., 90., 120.
R3-H (148) V=770.22
RemarksR=0.083000 : NDS PDF =1-248 : TEM =296 :
Space group was wrongly given as P3-
PDF 1-248 (Mg Si F6 6(H2 O))
Crystal B, refined with unconstrained position of D2, cp. 77718

Atom (site) Oxid. x, y, z, B, Occupancy
Mg1(3a)2
Fe1(3a)2
Si1(3b)4
F1(18f)-1
O1(18f)-2
D1(18f)1
D2(18f)1
0001.620.83
0001.620.17
000.51.5261
0.8675(9)0.8474(9)0.3999(7)2.651
0.0629(14)0.1973(11)0.1242(9)3.261
0.0382(12)0.1885(11)0.2188(10)4.261
0.1569(66)0.3057(11)0.1065(9)4.751

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 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).