Materials Data on Ca3Ti2(GeO4)3 by Materials Project
Ca3Ti2(GeO4)3 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 (2.42 Å) and four longer (2.56 Å) Ca–O bond lengths. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 2.05 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.80 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ti3+, and one Ge4+ atom.