Materials Data on BeHgO3 by Materials Project

Abstract

BeHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.83 Å. Hg is bonded to twelve equivalent O atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Hg–O bond lengths are 2.59 Å. O is bonded in a linear geometry to two equivalent Be and four equivalent Hg atoms.