Mn2CuInTe4 is alpha Po-derived structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with four equivalent In(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Cu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CuTe6 octahedra that share corners with two equivalent In(1)Te6 octahedra, corners with four equivalent Cu(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with two equivalent Cu(1)Te6 octahedra, corners with four equivalent In(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Mn(1), two equivalent Cu(1), and two equivalent In(1) atoms to form TeMn2In2Cu2 octahedra that share corners with six equivalent Te(1)Mn2In2Cu2 octahedra, edges with four equivalent Te(1)Mn2In2Cu2 octahedra, and edges with eight equivalent Te(2)Mn4InCu octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn4InCu octahedra that share corners with six equivalent Te(2)Mn4InCu octahedra, edges with four equivalent Te(2)Mn4InCu octahedra, and edges with eight equivalent Te(1)Mn2In2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
Mn2CuInTe4 is alpha Po-derived structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form MnTe6 octahedra that share corners with six equivalent Mn(1)Te6 octahedra, edges with four equivalent Mn(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with four equivalent In(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Both Mn(1)-Te(1) bond lengths are 2.92 Å. All Mn(1)-Te(2) bond lengths are 2.93 Å. Cu(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form CuTe6 octahedra that share corners with two equivalent In(1)Te6 octahedra, corners with four equivalent Cu(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-Te(2) bond lengths are 2.74 Å. All Cu(1)-Te(1) bond lengths are 2.93 Å. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with two equivalent Cu(1)Te6 octahedra, corners with four equivalent In(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent Mn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both In(1)-Te(2) bond lengths are 3.10 Å. All In(1)-Te(1) bond lengths are 2.93 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Mn(1), two equivalent Cu(1), and two equivalent In(1) atoms to form TeMn2In2Cu2 octahedra that share corners with six equivalent Te(1)Mn2In2Cu2 octahedra, edges with four equivalent Te(1)Mn2In2Cu2 octahedra, and edges with eight equivalent Te(2)Mn4InCu octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Mn(1), one Cu(1), and one In(1) atom to form TeMn4InCu octahedra that share corners with six equivalent Te(2)Mn4InCu octahedra, edges with four equivalent Te(2)Mn4InCu octahedra, and edges with eight equivalent Te(1)Mn2In2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°.