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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnZnTe2 by Materials Project

MnZnTe2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 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 ZnTe4 tetrahedra. All Mn–Te bond lengths are 2.73 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with eight equivalent MnTe4 tetrahedra. All Zn–Te bond lengths are 2.70 Å. Te2- is bonded to two equivalent Mn2+ and two equivalent Zn2+ atoms to form corner-sharing TeMn2Zn2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnZnTe2 by Materials Project

MnZnTe2 is Chalcopyrite-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 ZnTe4 tetrahedra. All Mn–Te bond lengths are 2.73 Å. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with six equivalent MnTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are one shorter (2.68 Å) and three longer (2.71 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three equivalent Zn2+ atoms to form corner-sharing TeMnZn3 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Mn2+ and one Zn2+ atom to form corner-sharing TeMn3Zn tetrahedra.

36 MATERIALS SCIENCE↗