Materials Data on Mn2TeSe by Materials Project
Mn2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing MnTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Te bond lengths are 2.87 Å. All Mn–Se bond lengths are 2.70 Å. Te2- is bonded to six equivalent Mn2+ atoms to form TeMn6 octahedra that share corners with six equivalent SeMn6 octahedra, edges with six equivalent TeMn6 octahedra, and edges with six equivalent SeMn6 octahedra. The corner-sharing octahedral tilt angles are 5°. Se2- is bonded to six equivalent Mn2+ atoms to form SeMn6 octahedra that share corners with six equivalent TeMn6 octahedra, edges with six equivalent TeMn6 octahedra, and edges with six equivalent SeMn6 octahedra. The corner-sharing octahedral tilt angles are 5°.