Materials Data on MnCd4Te5 by Materials Project
MnCd4Te5 is Chalcopyrite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with twelve equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.74 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with three equivalent MnTe4 tetrahedra and corners with nine equivalent CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.