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=37334
Help
CIF
Shel-X
FullProf
PowderCell
Old ICSD
Title
Darstellung und Struktur von Ba2 As2 S5.
Authors
Cordier, G.;Schwidetzky, C.;Schaefer, H.
Reference
Revue de Chimie Minerale (1983)
20
, 877-883
Link
XRef
SCOPUS
Google
Compound
As2 Ba2 S5
- Dibarium diarsenic sulfide
[
A2B2X5
] [
oP72
] [
a18
] [
]
Cell
17.345(8), 9.256(5), 11.946(6), 90., 90., 90.
PCA21 (29)
V=1917.87
Remarks
R=0.078000 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(4a)
2
Ba2
(4a)
2
Ba3
(4a)
2
Ba4
(4a)
2
As1
(4a)
3
As2
(4a)
3
As3
(4a)
3
As4
(4a)
3
S1
(4a)
-2
S2
(4a)
-2
S3
(4a)
-2
S4
(4a)
-2
S5
(4a)
-2
S6
(4a)
-2
S7
(4a)
-2
S8
(4a)
-2
S9
(4a)
-2
S10
(4a)
-2
0.07
0.50
0.48
0
1
0.32
0.98
0.33
0
1
0.32
0.50
0.32
0
1
0.07
0.00
0.47
0
1
0.37
0.13
0.63
0
1
0.12
0.76
0.17
0
1
0.26
0.26
0.06
0
1
0.99
0.27
0.25
0
1
0.24
0.50
0.07
0.01
1
0.36
0.23
0.15
0.01
1
0.55
0.25
0.92
0.01
1
0.31
0.75
0.85
0.01
1
0.49
0.51
0.74
0.01
1
0.30
0.24
0.88
0.01
1
0.61
0.23
0.65
0.01
1
0.21
0.94
0.09
0.01
1
0.46
0.95
0.70
0.01
1
0.07
0.20
0.97
0.01
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Ba1
(4a)
2
Ba2
(4a)
2
Ba3
(4a)
2
Ba4
(4a)
2
As1
(4a)
3
As2
(4a)
3
As3
(4a)
3
As4
(4a)
3
S1
(4a)
-2
S2
(4a)
-2
S3
(4a)
-2
S4
(4a)
-2
S5
(4a)
-2
S6
(4a)
-2
S7
(4a)
-2
S8
(4a)
-2
S9
(4a)
-2
S10
(4a)
-2
0.01
0.01
0.01
0.00
-.00
-.00
0.01
0.01
0.01
-.00
-.00
0.00
0.01
0.01
0.01
0.00
0.00
-.00
0.01
0.01
0.01
0.00
-.00
-.00
0.01
0.01
0.01
-.00
0.00
-.00
0.01
0.01
0.00
0.00
-.00
0.00
0.01
0.01
0.01
0.00
-.00
-.00
0.00
0.01
0.01
-.00
0.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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).