Materials Data on MnCdSe2 by Materials Project
MnCdSe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are one shorter (2.53 Å) and three longer (2.60 Å) Mn–Se bond lengths. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are three shorter (2.66 Å) and one longer (2.69 Å) Cd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing SeMn3Cd tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing SeMnCd3 tetrahedra.