Materials Data on Ca3Si3(SbO6)2 by Materials Project

Abstract

Ca3Si3(SbO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.47 Å) and four longer (2.59 Å) Ca–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Si–O bond lengths are 1.67 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sb–O bond lengths are 2.29 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Si4+, and one Sb3+ atom.