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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgCdTe2 by Materials Project

MgCdTe2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Mg–Te bond lengths are 2.82 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 MgTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. Te2- is bonded to two equivalent Mg2+ and two equivalent Cd2+ atoms to form corner-sharing TeMg2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCdTe2 by Materials Project

MgCdTe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mg2+ is bonded to four Te2- atoms to form MgTe4 tetrahedra that share corners with six equivalent MgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.82 Å) and three longer (2.83 Å) Mg–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent MgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are three shorter (2.86 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 Mg2+ and one Cd2+ atom to form corner-sharing TeMg3Cd tetrahedra. In the second Te2- site, Te2- is bonded to one Mg2+ and three equivalent Cd2+ atoms to form corner-sharing TeMgCd3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCdTe2 by Materials Project

MgCdTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Te2- atoms to form MgTe4 tetrahedra that share corners with four equivalent MgTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Mg–Te bond lengths are 2.82 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 MgTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. Te2- is bonded to two equivalent Mg2+ and two equivalent Cd2+ atoms to form corner-sharing TeMg2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗