Materials Data on MnZnGeO4 by Materials Project

MnZnGeO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with four equivalent ZnO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–61°. There are a spread of Mn–O bond distances ranging from 2.16–2.35 Å. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent ZnO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are a spread of Zn–O bond distances ranging from 2.14–2.24 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent ZnO6 octahedra, corners with four equivalent MnO6 octahedra, an edgeedge with one MnO6 octahedra, and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 59–64°. There are a spread of Ge–O bond distances ranging from 1.77–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mn2+, one Zn2+, and one Ge4+ atom. In the second O2- site, O2- is bonded to one Mn2+, two equivalent Zn2+, and one Ge4+ atom to form distorted corner-sharing OMnZn2Ge tetrahedra. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mn2+, two equivalent Zn2+, and one Ge4+ atom.