Materials Data on SrCo(GeO3)2 by Materials Project

Abstract

SrCoGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.78 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.12–2.17 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent CoO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–61°. There are a spread of Ge–O bond distances ranging from 1.74–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded to one Sr2+, two equivalent Co2+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OSrCo2Ge tetrahedra. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Sr2+, one Co2+, and one Ge4+ atom.