Materials Data on SbSeO5 by Materials Project

Abstract

SbSeO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Sb–O bond distances ranging from 1.97–2.25 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–53°. There are a spread of Se–O bond distances ranging from 1.69–1.72 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sb and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Sb and one Se atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Sb and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent Sb atoms.