Materials Data on Mn3TeO6 by Materials Project
Mn3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with two TeO6 octahedra, corners with four equivalent MnO6 pentagonal pyramids, edges with two TeO6 octahedra, and edges with four equivalent MnO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Mn–O bond distances ranging from 2.14–2.42 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 pentagonal pyramids and edges with six equivalent MnO6 pentagonal pyramids. All Te–O bond lengths are 1.96 Å. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 pentagonal pyramids and edges with six equivalent MnO6 pentagonal pyramids. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMn3Te tetrahedra. In the second O2- site, O2- is bonded to three equivalent Mn2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMn3Te trigonal pyramids.