Materials Data on Na3Ti2(GeO4)3 by Materials Project

Abstract

Na3Ti2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.59 Å) Na–O bond lengths. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.97 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ge–O bond lengths are 1.78 Å. O is bonded to two equivalent Na, one Ti, and one Ge atom to form a mixture of distorted edge and corner-sharing ONa2TiGe trigonal pyramids.