Ag2InBiSe4 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form AgSe6 octahedra that share corners with three equivalent In(1)Se6 octahedra, corners with three equivalent Bi(1)Se6 octahedra, edges with three equivalent In(1)Se6 octahedra, edges with three equivalent Bi(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form InSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with two equivalent In(1)Se6 octahedra, edges with four equivalent Bi(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Bi(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form BiSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with two equivalent Bi(1)Se6 octahedra, edges with four equivalent In(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ag(1), two equivalent In(1), and one Bi(1) atom to form SeIn2Ag3Bi octahedra that share corners with three equivalent Se(1)In2Ag3Bi octahedra, corners with three equivalent Se(2)InAg3Bi2 octahedra, edges with five equivalent Se(1)In2Ag3Bi octahedra, and edges with seven equivalent Se(2)InAg3Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Se site, Se(2) is bonded to three equivalent Ag(1), one In(1), and two equivalent Bi(1) atoms to form SeInAg3Bi2 octahedra that share corners with three equivalent Se(1)In2Ag3Bi octahedra, corners with three equivalent Se(2)InAg3Bi2 octahedra, edges with five equivalent Se(2)InAg3Bi2 octahedra, and edges with seven equivalent Se(1)In2Ag3Bi octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
Ag2InBiSe4 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form AgSe6 octahedra that share corners with three equivalent In(1)Se6 octahedra, corners with three equivalent Bi(1)Se6 octahedra, edges with three equivalent In(1)Se6 octahedra, edges with three equivalent Bi(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. There is one shorter (2.81 Å) and two longer (2.93 Å) Ag(1)-Se(1) bond lengths. There are two shorter (2.85 Å) and one longer (2.92 Å) Ag(1)-Se(2) bond length. In(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form InSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with two equivalent In(1)Se6 octahedra, edges with four equivalent Bi(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Both In(1)-Se(2) bond lengths are 2.85 Å. All In(1)-Se(1) bond lengths are 2.85 Å. Bi(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form BiSe6 octahedra that share corners with six equivalent Ag(1)Se6 octahedra, edges with two equivalent Bi(1)Se6 octahedra, edges with four equivalent In(1)Se6 octahedra, and edges with six equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 3°. Both Bi(1)-Se(1) bond lengths are 2.95 Å. All Bi(1)-Se(2) bond lengths are 2.96 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ag(1), two equivalent In(1), and one Bi(1) atom to form SeIn2Ag3Bi octahedra that share corners with three equivalent Se(1)In2Ag3Bi octahedra, corners with three equivalent Se(2)InAg3Bi2 octahedra, edges with five equivalent Se(1)In2Ag3Bi octahedra, and edges with seven equivalent Se(2)InAg3Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Se site, Se(2) is bonded to three equivalent Ag(1), one In(1), and two equivalent Bi(1) atoms to form SeInAg3Bi2 octahedra that share corners with three equivalent Se(1)In2Ag3Bi octahedra, corners with three equivalent Se(2)InAg3Bi2 octahedra, edges with five equivalent Se(2)InAg3Bi2 octahedra, and edges with seven equivalent Se(1)In2Ag3Bi octahedra. The corner-sharing octahedral tilt angles range from 0-4°.