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Materials Data on MnCdTe2 by Materials Project

MnCdTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with six equivalent MnTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.72 Å) and three longer (2.78 Å) Mn–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent MnTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are three shorter (2.85 Å) and one longer (2.87 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing TeMn3Cd tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnCdTe2 by Materials Project

MnCdTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Mn–Te bond lengths are 2.49 Å. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Cd–Te bond lengths are 2.91 Å. Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗