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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleShear transformation in the layered compound K Al F4: low temperature phase structure and transformation mechanism.
AuthorsLaunay, J.M.;Bulou, A.;Hewat, A.W.;Gibaud, A.;Laval, J.Y.;Nouet, J.
ReferenceIC&volume=46&fpage=771&details=yes target=icsd_help>Journal de Physique (1985) 46, 771-782
Link XRef SCOPUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS Google
CompoundAl1 F4 K1 - Potassium tetrafluoroaluminate - LT [ABX4] [mP24] [f3 e4 b a] []
Cell7.3403(2), 7.2370(2), 6.4070(2), 90., 106.801(4), 90.
P121/M1 (11) V=325.82
RemarksN 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
0000.041
0.5000.041
0.130.250.5401
0.630.250.5401
0.25-.020.0001
0.020.250.0501
0.480.250.0401
0.07-.030.2801
0.57-.030.2801
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
000000
000000
0.9(0.0(1.1(00.320
0.9(0.0(1.1(00.320
0.381.0(1.5(00.420
1.040.281.5(00.420
1.040.281.5(00.420
0.980.270.8700.240
0.980.270.8700.240

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