Materials Data on Mg3Si3(BiO6)2 by Materials Project

Abstract

Mg3Si3(BiO6)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 (2.40 Å) and four longer (2.44 Å) Mg–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Bi–O bond lengths are 2.32 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Si4+, and one Bi3+ atom.