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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnCdTe2 by Materials Project

CdZnTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. 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 ZnTe4 tetrahedra. All Cd–Te bond lengths are 2.86 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 CdTe4 tetrahedra. All Zn–Te bond lengths are 2.69 Å. Te2- is bonded to two equivalent Cd2+ and two equivalent Zn2+ atoms to form corner-sharing TeZn2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnCdTe2 by Materials Project

CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are three shorter (2.82 Å) and one longer (2.87 Å) Cd–Te bond lengths. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are one shorter (2.67 Å) and three longer (2.74 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Cd2+ and three equivalent Zn2+ atoms to form corner-sharing TeZn3Cd tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cd2+ and one Zn2+ atom to form corner-sharing TeZnCd3 tetrahedra.

36 MATERIALS SCIENCE↗