Materials Data on Zn3Si3(SnO6)2 by Materials Project

Abstract

Zn3Si3(SnO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.55 Å) Zn–O bond lengths. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sn–O bond lengths are 2.12 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Zn2+, one Sn3+, and one Si4+ atom.