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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
X-ray and electron diffraction study of the tetragonal sodium tungsten bronze, Na0.10 W O3, with distorted perovskite structure.
Authors
Triantafyllou, S.T.;Christidis, P.C.;Lioutas, C.B.
Reference
IC&volume=133&fpage=479&details=yes target=icsd_help>Journal of Solid State Chemistry (1997)
133
, 479-485
Link
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Compound
Na0.1 O3 W1
- Sodium tungsten oxide (0.1/1/3)
[
AB8X24
] [
tP33
] [
d6 c4 b4 a4
] [
]
Cell
7.423(3), 7.423(3), 7.791(1), 90., 90., 90.
P4 (75)
V=429.29
Remarks
R=0.086000 : M D
Superstructure refinement
Atom (site) Oxid.
x, y, z, B, Occupancy
W1
(1a)
5.9
W2
(1a)
5.9
W3
(2c)
5.9
W4
(2c)
5.9
W5
(1b)
5.9
W6
(1b)
5.9
O1
(1a)
-2
O2
(1a)
-2
O3
(2c)
-2
O4
(2c)
-2
O5
(1b)
-2
O6
(1b)
-2
O7
(4d)
-2
O8
(4d)
-2
O9
(4d)
-2
O10
(4d)
-2
Na1
(4d)
1
Na2
(4d)
1
0
0
0.25
0
1
0
0
0.75
0
1
0.5
0
0.32
0
1
0.5
0
0.82
0
1
0.5
0.5
0.25
0
1
0.5
0.5
0.75
0
1
0
0
0.02
0.08
1
0
0
0.53
0.08
1
0.5
0
0.55
0.08
1
0.5
0
0.05
0.08
1
0.5
0.5
0.01
0.08
1
0.5
0.5
0.52
0.08
1
0.24
-.03
0.31
0.00
1
0.24
0.03
0.81
0.03
1
0.47
0.26
0.24
0.02
1
0.56
0.27
0.78
0.09
1
0.25
0.25
0
0.05
0.1
0.25
0.25
0.5
0.05
0.1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
W1
(1a)
5.9
W2
(1a)
5.9
W3
(2c)
5.9
W4
(2c)
5.9
W5
(1b)
5.9
W6
(1b)
5.9
O1
(1a)
-2
O2
(1a)
-2
O3
(2c)
-2
O4
(2c)
-2
O5
(1b)
-2
O6
(1b)
-2
O7
(4d)
-2
O8
(4d)
-2
O9
(4d)
-2
O10
(4d)
-2
Na1
(4d)
1
Na2
(4d)
1
0.01
0.01
0.01
0
0
0
0.01
0.01
0.01
0
0
0
0.01
0.03
0.01
0.00
0
0
0.00
0.02
0.01
0.00
0
0
0.11
0.11
0.01
0
0
0
0.03
0.03
0.01
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
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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