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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=280369
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Title
Octahedral deformations and cation displacements in the ferroelectric PbHf0.8Ti0.2O3: a neutron powder diffraction study from 10 K to 770 K.
Authors
Muller, C.;Baudour, J.-L.;Bedoya, C.;Bouree, F.;Soubeyroux, J.L.;Roubin, M.
Reference
IC&volume=56&fpage=27&details=yes target=icsd_help>Acta Crystallographica B (2000)
56
, 27-38
Link
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Compound
Hf0.8 O3 Pb1 Ti0.2
- Lead hafnium titanium oxide (1/0.8/0.2/3)
[
ABX3
] [
hR5
] [
b a2
] [
]
Cell
5.8025(2), 5.8025(2), 14.2648(4), 90., 90., 120.
R3MH (160)
V=415.94
Remarks
R=0.038000 : T =440 : N
Atom (site) Oxid.
x, y, z, B, Occupancy
Pb1
(3a)
2.8
Hf1
(3a)
3
Ti1
(3a)
4
O1
(9b)
-2
0
0
0.27
0
1
0
0
0.01
0.32
0.8
0
0
0.01
0.32
0.2
0.17
0.34
0.08
1.96
1
Atom (site) Oxid.
B11, B22, B33, B12, B13, B23
Pb1
(3a)
2.8
Hf1
(3a)
3
Ti1
(3a)
4
O1
(9b)
-2
5.53
5.53
2.53
2.76
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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