Materials Data on Mn2TcO4 by Materials Project

Abstract

TcMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tc4+ is bonded to six O2- atoms to form TcO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent TcO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (2.04 Å) and four longer (2.08 Å) Tc–O bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent TcO6 octahedra and corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. There are two shorter (2.05 Å) and two longer (2.11 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent MnO6 octahedra, and edges with four equivalent TcO6 octahedra. There are four shorter (2.15 Å) and two longer (2.28 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Tc4+ and two Mn2+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Tc4+ and three Mn2+ atoms.