CaMn2Te3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Te(1) atoms to form CaTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with six equivalent Ca(1)Te6 octahedra, and edges with six equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Mn(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form MnTe6 octahedra that share corners with three equivalent Ca(1)Te6 octahedra, corners with three equivalent Mn(1)Te6 octahedra, edges with three equivalent Ca(1)Te6 octahedra, and edges with nine equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form TeCa3Mn3 octahedra that share corners with three equivalent Te(1)Ca3Mn3 octahedra, corners with three equivalent Te(2)Mn6 octahedra, edges with three equivalent Te(2)Mn6 octahedra, and edges with nine equivalent Te(1)Ca3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to six equivalent Mn(1) atoms to form TeMn6 octahedra that share corners with six equivalent Te(1)Ca3Mn3 octahedra, edges with six equivalent Te(1)Ca3Mn3 octahedra, and edges with six equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles are 1°.
CaMn2Te3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Te(1) atoms to form CaTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with six equivalent Ca(1)Te6 octahedra, and edges with six equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Ca(1)-Te(1) bond lengths are 3.15 Å. Mn(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form MnTe6 octahedra that share corners with three equivalent Ca(1)Te6 octahedra, corners with three equivalent Mn(1)Te6 octahedra, edges with three equivalent Ca(1)Te6 octahedra, and edges with nine equivalent Mn(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. All Mn(1)-Te(1) bond lengths are 2.92 Å. All Mn(1)-Te(2) bond lengths are 2.97 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Ca(1) and three equivalent Mn(1) atoms to form TeCa3Mn3 octahedra that share corners with three equivalent Te(1)Ca3Mn3 octahedra, corners with three equivalent Te(2)Mn6 octahedra, edges with three equivalent Te(2)Mn6 octahedra, and edges with nine equivalent Te(1)Ca3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to six equivalent Mn(1) atoms to form TeMn6 octahedra that share corners with six equivalent Te(1)Ca3Mn3 octahedra, edges with six equivalent Te(1)Ca3Mn3 octahedra, and edges with six equivalent Te(2)Mn6 octahedra. The corner-sharing octahedral tilt angles are 1°.