G. Baldinozzi et al., CRYSTAL-STRUCTURE OF THE ANTIFERROELECTRIC PEROVSKITE PB2MGWO6, Acta crystallographica. Section B, Structural science, 51, 1995, pp. 668-673
Lead magnesium tungstate, Pb2MgWO6, M(r) = 718.54. Phase I: cubic, Z =
4, Fm3m, a = 8.0058(4)Angstrom, V = 513.1(2)Angstrom(3), D-x = 9.30 M
g m(-3) at 350 K, final R(wp) = 4.5 and 7.7%, R(Bragg) = 2.9 and 5.7%
for neutron and X-ray powder data, respectively. Phase II: orthorhombi
c, Pmcn (Pnma),Z = 4, a = 7.9440(4) and 7.9041(3), b = 5.6866(3) and 5
.7035(2), c = 11.4059(5) and 11.4442(4)Angstrom, V = 515.3(1) and 515.
9(1)Angstrom(3) at 294 and 80 K, respectively, D-x = 9.26 Mg m(-3) at
294 K. Final R(wp) = 4.0 and 8.5%, R(Bragg) = 4.0 and 9.2% at 294 K an
d R(wp) = 4.0 and 7.4%, R(Bragg) = 2.9 and 8.4% at 80 K for neutron an
d X-ray powder data, respectively. To achieve the determination of the
structures, X-ray and neutron powder diffraction data were refined to
gether using the Rietveld profile method. The Pb main displacement in
the orthorhombic phase from the ideal cubic positions is almost along
the [012](o) direction. The O displacements correspond to a weak disto
rtion of the octahedra.