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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
The structural characterization of Sn0.5NbTiP3O12 and Fe0.33NbTiP3O12.
Authors
Berry, F.J.;Greaves, C.;Marco, J.F.
Reference
IC&volume=96&fpage=408&details=yes target=icsd_help>Journal of Solid State Chemistry (1992)
96
, 408-414
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Compound
Fe0.372 Nb1 O12 P3 Ti1
- Iron niobium titanium phosphate (.4/1/1/3)
[
AB6C9X36
] [
hR35
] [
f2 e c b
] [
]
Cell
8.614(1), 8.614(1), 21.448(1), 90., 90., 120.
R3-CH (167)
V=1378.25
Remarks
R=0.028000 : X D
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Nb1
(12c)
4.256
Ti1
(12c)
4
P1
(18e)
5
Fe1
(6b)
2
O1
(36f)
-2
O2
(36f)
-2
0
0
0.14
0.29
0.5
0
0
0.14
0.29
0.5
0.28
0
0.25
1.3(
1
0
0
0
3.0(
0.37
0.18
0.98
0.19
-.1(
1
0.19
0.16
0.08
-.1(
1
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