Materials Data on Co2SiO4 by Materials Project

Abstract

Co2SiO4 is Spinel structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six CoO6 octahedra. There are two shorter (2.11 Å) and four longer (2.12 Å) Co–O bond lengths. In the second Co2+ site, Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Co–O bond lengths are 2.12 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with twelve CoO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There is three shorter (1.67 Å) and one longer (1.68 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Co2+ and one Si4+ atom.