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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
Structure determination of A2 Na Al3 F12 (A= K, Na).
Authors
LeBail, A.; Gao, Y.; Fourquet, J.L.; Jacoboni, C.
Reference
Materials Research Bulletin (1990)
25
, 831-839
Link
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Compound
Al3 F12 K2 Na1
- Dipotassium sodium tris(tetrafluoroaluminate)
[
AB2C3X12
] [
mP36
] [
f4 e8 d c
] [
]
Cell
11.882(7), 6.983(4), 6.942(4), 90., 125.59(3), 90.
P121/M1 (11)
V=468.4
Remarks
R=0.038000 : P =44-575 : T
Calculated density unusual but tolerable.
Reduced cell has a'=9.662(5), beta'=90.15(3), P21/m
Pseudo-hexagonal
PDF 44-575, 88-1587
Atom (site) Oxid.
x, y, z, B, Occupancy
K1
(2e)
1
K2
(2e)
1
Na1
(2e)
1
Al1
(2d)
3
Al2
(2c)
3
Al3
(2e)
3
F1
(2e)
-1
F2
(2e)
-1
F3
(2e)
-1
F4
(2e)
-1
F5
(4f)
-1
F6
(4f)
-1
F7
(4f)
-1
F8
(4f)
-1
0.89
0.25
0.90
0
1
0.35
0.75
0.89
0
1
0.24
0.25
0.03
0
1
0.5
0.5
0.5
0
1
0
0
0.5
0
1
0.28
0.25
0.58
0
1
0.49
0.25
0.41
0
1
0.37
0.25
0.89
0
1
0.05
0.75
0.58
0
1
0.82
0.75
0.71
0
1
0.65
0.04
0.78
0
1
0.39
0.06
0.60
0
1
0.94
0.95
0.21
0
1
0.82
0.56
0.40
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
K1
(2e)
1
K2
(2e)
1
Na1
(2e)
1
Al1
(2d)
3
Al2
(2c)
3
Al3
(2e)
3
F1
(2e)
-1
F2
(2e)
-1
F3
(2e)
-1
F4
(2e)
-1
F5
(4f)
-1
F6
(4f)
-1
F7
(4f)
-1
F8
(4f)
-1
0.02
0.02
0.02
0
0
0.01
0.01
0.03
0.02
0
0
0.00
0.01
0.01
0.01
0
0
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
0
0
0.00
0.01
0.00
0.01
0
0
0.00
0.01
0.02
0.00
0
0
0.00
0.01
0.00
0.01
0
0
0.00
0.01
0.02
0.00
0
0
0.00
0.01
0.01
0.01
-.00
0.00
-.00
0.01
0.01
0.01
0.00
0.01
0.00
0.01
0.01
0.01
-.00
0.00
-.00
0.00
0.01
0.02
0.00
0.00
-.00
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