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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=51333
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Title
A mixed alpha/beta superstructure in NASICON ionic conductors: neutron diffraction study of Li2 Fe Ti (P O4)3 and Li2 Fe Zr (P O4)3.
Authors
Catti, M.
Reference
IC&volume=156&fpage=305&details=yes target=icsd_help>Journal of Solid State Chemistry (1999)
156
, 305-312
Link
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Compound
Fe1 Li2 O12 P3 Zr1
- Dilithium iron zirconium tris(phosphate(V))
[
A2B2C3X12
] [
oP76
] [
d9 c
] [
]
Cell
8.70559(8), 8.78572(9), 12.2202(1), 90., 90., 90.
PBNA (60)
V=934.66
Remarks
R=0.061800 : X N
Atom (site) Oxid.
x, y, z, B, Occupancy
Li1
(8d)
1
Fe1
(8d)
3
Zr1
(8d)
4
P1
(8d)
5
P2
(4c)
5
O1
(8d)
-2
O2
(8d)
-2
O3
(8d)
-2
O4
(8d)
-2
O5
(8d)
-2
O6
(8d)
-2
0.28
0.22
0.32
0.07
1
0.75
0.46
0.61
0.00
0.5
0.75
0.46
0.61
0.00
0.5
0.60
0.10
0.64
0.00
1
0.04
0.25
0.5
0.00
1
0.65
0.43
0.46
0.01
1
0.66
0.26
0.67
0.01
1
0.94
0.35
0.56
0.01
1
0.56
0.60
0.65
0.01
1
0.82
0.48
0.77
0.01
1
0.85
0.65
0.57
0.01
1
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