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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 Help
TitleOctahedral deformations and cation displacements in the ferroelectric PbHf0.8Ti0.2O3: a neutron powder diffraction study from 10 K to 770 K.
AuthorsMuller, C.;Baudour, J.-L.;Bedoya, C.;Bouree, F.;Soubeyroux, J.L.;Roubin, M.
ReferenceIC&volume=56&fpage=27&details=yes target=icsd_help>Acta Crystallographica B (2000) 56, 27-38
Link XRef SCOPUS Google
CompoundHf0.8 O3 Pb1 Ti0.2 - Lead hafnium titanium oxide (1/0.8/0.2/3) [ABX3] [hR5] [b a2] []
Cell5.8025(2), 5.8025(2), 14.2648(4), 90., 90., 120.
R3MH (160) V=415.94
RemarksR=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
000.2701
000.010.320.8
000.010.320.2
0.170.340.081.961
Atom (site) Oxid. B11, B22, B33, B12, B13, B23
Pb1(3a)2.8
Hf1(3a)3
Ti1(3a)4
O1(9b)-2
5.535.532.532.7600
000000
000000
000000

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