Materials Data on Mg(SbO2)2 by Materials Project

Abstract

MgSb2O4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two MgSb2O4 sheets oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.18–2.59 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.01 Å) and two longer (2.07 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded to five O2- atoms to form distorted edge-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 2.18–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+ and three Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Mg2+ and two equivalent Sb3+ atoms.