AlBiSCl4 crystallizes in the tetragonal I-4 space group. Al(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form AlCl4 tetrahedra that share corners with three equivalent Bi(1)S3Cl3 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. Bi(1) is bonded to three equivalent S(1), one Cl(1), one Cl(2), and one Cl(3) atom to form BiS3Cl3 octahedra that share corners with three equivalent Al(1)Cl4 tetrahedra and edges with three equivalent Bi(1)S3Cl3 octahedra. S(1) is bonded in a distorted T-shaped geometry to three equivalent Bi(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Al(1) and one Bi(1) atom. In the third Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Bi(1) atom. In the fourth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Al(1) and one Bi(1) atom.
AlBiSCl4 crystallizes in the tetragonal I-4 space group. Al(1) is bonded to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom to form AlCl4 tetrahedra that share corners with three equivalent Bi(1)S3Cl3 octahedra. The corner-sharing octahedral tilt angles range from 53-68°. The Al(1)-Cl(1) bond length is 2.17 Å. The Al(1)-Cl(2) bond length is 2.20 Å. The Al(1)-Cl(3) bond length is 2.17 Å. The Al(1)-Cl(4) bond length is 2.13 Å. Bi(1) is bonded to three equivalent S(1), one Cl(1), one Cl(2), and one Cl(3) atom to form BiS3Cl3 octahedra that share corners with three equivalent Al(1)Cl4 tetrahedra and edges with three equivalent Bi(1)S3Cl3 octahedra. There are a spread of Bi(1)-S(1) bond distances ranging from 2.68-2.73 Å. The Bi(1)-Cl(1) bond length is 3.15 Å. The Bi(1)-Cl(2) bond length is 3.02 Å. The Bi(1)-Cl(3) bond length is 3.11 Å. S(1) is bonded in a distorted T-shaped geometry to three equivalent Bi(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Al(1) and one Bi(1) atom. In the third Cl site, Cl(2) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Bi(1) atom. In the fourth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Al(1) and one Bi(1) atom.