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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=96993
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Title
Pressure-induced cation migration and volume expansion in the defect pyrochlores A Nb W O6 (A = (N H4)(+), Rb(+), H(+), K(+)).
Authors
Barnes, P.W.; Woodward, P.M.; Lee Yong-Jae; Vogt, T.; Hriljac, J.A.
Reference
IC&volume=125&fpage=457&details=yes target=icsd_help>Journal of the American Chemical Society (2003)
125
, 457-457
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Compound
H6 N1 Nb1 O7 W1
- Ammonium niobotungstate hydrate
[
A2XY7
] [
cF128
] [
f e2 c
] [
]
Cell
10.490(1), 10.490(1), 10.490(1), 90, 90, 90
FD3-MZ (227)
V=1154.32
Remarks
R=0.045300 : D P =3370 : 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.
At least one temperature factor missing in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Nb1
(16c)
5
W1
(16c)
6
N1
(32e)
-3
O1
(48f)
-2
O2
(32e)
-2
H1
(192*)
1
0.
0.
0.
0
0.5
0.
0.
0.
0
0.5
0.48
0.48
0.48
0
0.25
0.31
0.12
0.12
0
1
0.43
0.43
0.43
0
0.25
0
0.25
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