Materials Data on Mg2TeSe by Materials Project
Mg2TeSe is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to one Te2- and three equivalent Se2- atoms to form corner-sharing MgTeSe3 tetrahedra. The Mg–Te bond length is 2.80 Å. All Mg–Se bond lengths are 2.67 Å. In the second Mg2+ site, Mg2+ is bonded to three equivalent Te2- and one Se2- atom to form corner-sharing MgTe3Se tetrahedra. All Mg–Te bond lengths are 2.77 Å. The Mg–Se bond length is 2.60 Å. Te2- is bonded to four Mg2+ atoms to form TeMg4 tetrahedra that share corners with six equivalent TeMg4 tetrahedra and corners with six equivalent SeMg4 tetrahedra. Se2- is bonded to four Mg2+ atoms to form SeMg4 tetrahedra that share corners with six equivalent TeMg4 tetrahedra and corners with six equivalent SeMg4 tetrahedra.