Materials Data on Cd3GeO6 by Materials Project

Abstract

Cd3GeO6 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four equivalent CdO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with four equivalent CdO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–64°. There are a spread of Cd–O bond distances ranging from 2.21–2.58 Å. In the second Cd site, Cd is bonded to six O atoms to form distorted CdO6 octahedra that share corners with six CdO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with three CdO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Cd–O bond distances ranging from 2.21–2.49 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with six CdO6 octahedra and edges with three CdO6 octahedra. The corner-sharing octahedra tilt angles range from 6–63°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three Cd and one Ge atom. In the second O site, O is bonded in a trigonal planar geometry to three Cd atoms. In the third O site, O is bonded in a distorted tetrahedral geometry to three Cd and one Ge atom. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to three Cd and one Ge atom.