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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=60525 Help
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.
ReferenceJournal de Physique (1985) 46, 771-782
Link XRef SCOPUS SCIRUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS SCIRUS 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
RemarksNDP PDF =77-2211 : TEM =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
0000.04(5)1
0.5000.04(5)1
0.131(2)0.250.541(2)01
0.633(2)0.250.544(2)01
0.2581(8)-.0205(3)0.0077(9)01
0.029(1)0.250.051(1)01
0.4874(8)0.250.044(1)01
0.0712(7)-.0370(5)0.2836(8)01
0.5738(6)-.0361(5)0.2840(7)01
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(1)0.0(1)1.1(2)00.32(4)0
0.9(1)0.0(1)1.1(2)00.32(4)0
0.38(6)1.0(1)1.5(1)00.42(3)0
1.04(5)0.28(6)1.5(1)00.42(3)0
1.04(5)0.28(6)1.5(1)00.42(3)0
0.98(4)0.27(5)0.87(8)00.240
0.98(4)0.27(5)0.87(8)00.240

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