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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=78094
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Title
New cluster phases A(I)Zr6Cl14Mn and Zr6Cl14Fe: A second structure type with small cations.
Authors
Zhang, J.;Corbett, J.D.
Reference
IC&volume=109&fpage=265&details=yes target=icsd_help>Journal of Solid State Chemistry (1994)
109
, 265-271
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Compound
Cl14 Li1 Mn1 Zr6
- Lithium manganese zirconium chloride (1/1/6/14)
[
ABC6X14
] [
oS88
] [
g4 f2 e d b
] [
]
Cell
14.507(2), 12.858(2), 11.786(2), 90., 90., 90.
CMCA (64)
V=2198.45
Remarks
R=0.053000 : D
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
Zr1
(16g)
1.83
Zr2
(8f)
1.83
Cl1
(16g)
-1
Cl2
(16g)
-1
Cl3
(8e)
-1
Cl4
(8f)
-1
Cl5
(8d)
-1
Mn1
(4b)
2
Li1
(16g)
1
0.38
0.07
0.88
1.38
1
0
0.34
0.88
1.40
1
0.12
0.08
0.25
1.83
1
0.12
0.25
0.00
1.81
1
0.25
0.34
0.25
1.99
1
0
0.15
0.76
1.90
1
0.24
0
0
1.79
1
0
0
0.5
1.81
1
0.25
0.67
0.15
1.9(
0.25
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