Materials Data on K2ZrGe2O7 by Materials Project
K2ZrGe2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.24 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent GeO4 tetrahedra. There are a spread of Zr–O bond distances ranging from 2.10–2.16 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent ZrO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–51°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zr4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+, one Zr4+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Zr4+, and one Ge4+ atom.