Materials Data on Mg3Si3(MoO6)2 by Materials Project

Abstract

Mg3Si3(MoO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.40 Å) Mg–O bond lengths. Mo3+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mo–O bond lengths are 2.13 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Mo3+, and one Si4+ atom.