Materials Data on Sr2MnSbO6 by Materials Project

Abstract

Sr2MnSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent SbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.80–2.89 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–O bond distances ranging from 1.95–2.19 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.97 Å) and four longer (2.01 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Mn3+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSr4MnSb octahedra. The corner-sharing octahedra tilt angles range from 0–5°.