Materials Data on CoSeO5 by Materials Project

Abstract

CoSeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent SeO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Co–O bond distances ranging from 1.81–2.03 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co4+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co4+ and one Se6+ atom.