Materials Data on CsMnO4 by Materials Project
CsMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form distorted CsO12 cuboctahedra that share corners with two equivalent MnO4 tetrahedra, edges with six equivalent CsO12 cuboctahedra, edges with five equivalent MnO4 tetrahedra, and faces with four equivalent CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.19–3.54 Å. Mn7+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent CsO12 cuboctahedra and edges with five equivalent CsO12 cuboctahedra. All Mn–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one Mn7+ atom.