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=90094
Help
CIF
Shel-X
FullProf
PowderCell
Old ICSD
Title
Sulfosalts with alkaline earth metals. Centrosymmetric vs acentric interplay in Ba3 Sb4.66 S10 and Ba2.62 Pb1.38 Sb4 S10 based on the Ba/Pb/Sb ratio. Phases related to arsenosulfide minerals of the rathite group and novel polysulfide Sr6 Sb6 S17.
Authors
Choi, K.-S.;Kanatzidis, M.G.
Reference
Inorganic Chemistry (2000)
39
, 565-566
Link
XRef
SCOPUS
Google
Compound
S17 Sb6 Sr6
- Strontium antimony sulfide (6/6/17)
[
A6B6X3Y14
] [
oP116
] [
a29
] [
]
Cell
8.2871(9), 15.352(2), 22.8730(30), 90., 90., 90.
P212121 (19)
V=2909.98
Remarks
R=0.032000 : T =298 : M =S :
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
Sb1
(4a)
3
Sb2
(4a)
3
Sb3
(4a)
3
Sb4
(4a)
3
Sb5
(4a)
3
Sb6
(4a)
3
Sr1
(4a)
2
Sr2
(4a)
2
Sr3
(4a)
2
Sr4
(4a)
2
Sr5
(4a)
2
Sr6
(4a)
2
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
S11
(4a)
-2
S12
(4a)
-2
S13
(4a)
-2
S14
(4a)
-2
S15
(4a)
-0.667
S16
(4a)
-0.667
S17
(4a)
-0.667
0.00
0.30
0.24
0
1
0.47
0.29
0.23
0
1
0.51
0.18
0.08
0
1
0.00
0.67
0.43
0
1
0.53
0.42
0.09
0
1
0.01
0.42
0.10
0
1
0.24
0.16
0.37
0
1
0.24
0.66
0.12
0
1
0.25
0.04
0.21
0
1
0.24
0.55
0.28
0
1
0.24
0.05
0.54
0
1
0.24
0.44
0.45
0
1
0.29
0.14
0.68
0
1
0.25
0.34
0.30
0
1
0.00
0.15
0.27
0
1
0.50
0.15
0.28
0
1
0.28
0.23
0.15
0
1
0.50
0.02
0.11
0
1
0.72
0.22
0.14
0
1
0.27
0.37
0.00
0
1
0.00
0.03
0.11
0
1
0.72
0.37
0.01
0
1
0.49
0.06
0.44
0
1
0.26
0.02
0.83
0
1
0.00
0.56
0.05
0
1
0.23
0.47
0.16
0
1
0.49
0.29
0.42
0
1
0.13
0.24
0.50
0
1
0.00
0.29
0.43
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Sb1
(4a)
3
Sb2
(4a)
3
Sb3
(4a)
3
Sb4
(4a)
3
Sb5
(4a)
3
Sb6
(4a)
3
Sr1
(4a)
2
Sr2
(4a)
2
Sr3
(4a)
2
Sr4
(4a)
2
Sr5
(4a)
2
Sr6
(4a)
2
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
S11
(4a)
-2
S12
(4a)
-2
S13
(4a)
-2
S14
(4a)
-2
S15
(4a)
-0.667
S16
(4a)
-0.667
S17
(4a)
-0.667
0.01
0.01
0.01
-.00
-.00
0.00
0.02
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
0.00
0.02
0.01
0.02
-.00
-.00
0.00
0.02
0.01
0.01
0.00
-.00
0.00
0.02
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
-.00
0.00
0.00
0.01
0.02
0.01
0.00
0.00
-.00
0.01
0.01
0.01
0.00
-.00
-.00
0.01
0.01
0.01
0.00
-.00
-.00
0.01
0.01
0.02
-.00
-.00
0.00
0.01
0.01
0.01
0.00
-.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
0.01
-.00
-.00
-.00
0.01
0.01
0.02
0.00
0.00
0.00
0.01
0.01
0.02
0.00
-.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
-.00
0.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0.02
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
-.00
0.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
-.00
-.00
0.00
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).