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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
Shear transformation in the layered compound K Al F4: low temperature phase structure and transformation mechanism.
Authors
Launay, J.M.;Bulou, A.;Hewat, A.W.;Gibaud, A.;Laval, J.Y.;Nouet, J.
Reference
IC&volume=46&fpage=771&details=yes target=icsd_help>Journal de Physique (1985)
46
, 771-782
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Also:
Phase Transition (1992)
38
, 127-220
Link
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Compound
Al1 F4 K1
- Potassium tetrafluoroaluminate - LT
[
ABX4
] [
mP24
] [
f3 e4 b a
] [
]
Cell
7.3403(2), 7.2370(2), 6.4070(2), 90., 106.801(4), 90.
P121/M1 (11)
V=325.82
Remarks
N P =77-2211 : T =4 :
No R value given in the paper.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Stable up to 250 K (2nd ref., Tomaszewski), cp. 16413
Only Rnuc is given in the paper: Rnuc=.0776
Atom (site) Oxid.
x, y, z, B, Occupancy
Al1
(2a)
3
Al2
(2b)
3
K1
(2e)
1
K2
(2e)
1
F1
(4f)
-1
F2
(2e)
-1
F3
(2e)
-1
F4
(4f)
-1
F5
(4f)
-1
0
0
0
0.04
1
0.5
0
0
0.04
1
0.13
0.25
0.54
0
1
0.63
0.25
0.54
0
1
0.25
-.02
0.00
0
1
0.02
0.25
0.05
0
1
0.48
0.25
0.04
0
1
0.07
-.03
0.28
0
1
0.57
-.03
0.28
0
1
Atom (site) Oxid.
B11, B22, B33, B12, B13, B23
Al1
(2a)
3
Al2
(2b)
3
K1
(2e)
1
K2
(2e)
1
F1
(4f)
-1
F2
(2e)
-1
F3
(2e)
-1
F4
(4f)
-1
F5
(4f)
-1
0
0
0
0
0
0
0
0
0
0
0
0
0.9(
0.0(
1.1(
0
0.32
0
0.9(
0.0(
1.1(
0
0.32
0
0.38
1.0(
1.5(
0
0.42
0
1.04
0.28
1.5(
0
0.42
0
1.04
0.28
1.5(
0
0.42
0
0.98
0.27
0.87
0
0.24
0
0.98
0.27
0.87
0
0.24
0
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