Materials Data on PmWO3 by Materials Project

Abstract

PmWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm3+ is bonded to twelve equivalent O2- atoms to form PmO12 cuboctahedra that share corners with twelve equivalent PmO12 cuboctahedra, faces with six equivalent PmO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Pm–O bond lengths are 2.92 Å. W3+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent PmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.06 Å. O2- is bonded to four equivalent Pm3+ and two equivalent W3+ atoms to form a mixture of distorted edge, face, and corner-sharing OPm4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.