Ce3FeAlS7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), one S(7), two equivalent S(1), and two equivalent S(5) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and two equivalent S(6) atoms. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(6), one S(7), two equivalent S(3), and two equivalent S(4) atoms. Fe(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing FeS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(4), one S(5), one S(6), and one S(7) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), two equivalent Ce(3), and two equivalent Fe(1) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), two equivalent Ce(3), and one Al(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Al(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Ce(3), two equivalent Ce(2), and one Al(1) atom. In the seventh S site, S(7) is bonded in a tetrahedral geometry to one Ce(1), one Ce(2), one Ce(3), and one Al(1) atom.
Ce3FeAlS7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), one S(7), two equivalent S(1), and two equivalent S(5) atoms. The Ce(1)-S(2) bond length is 2.78 Å. The Ce(1)-S(3) bond length is 2.82 Å. The Ce(1)-S(4) bond length is 2.94 Å. The Ce(1)-S(7) bond length is 2.90 Å. There is one shorter (2.91 Å) and one longer (3.48 Å) Ce(1)-S(1) bond length. There is one shorter (2.86 Å) and one longer (2.98 Å) Ce(1)-S(5) bond length. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(7), and two equivalent S(6) atoms. The Ce(2)-S(1) bond length is 2.83 Å. The Ce(2)-S(2) bond length is 2.91 Å. The Ce(2)-S(3) bond length is 2.78 Å. The Ce(2)-S(5) bond length is 2.93 Å. The Ce(2)-S(7) bond length is 2.89 Å. There is one shorter (2.86 Å) and one longer (2.99 Å) Ce(2)-S(6) bond length. In the third Ce site, Ce(3) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(6), one S(7), two equivalent S(3), and two equivalent S(4) atoms. The Ce(3)-S(1) bond length is 2.79 Å. The Ce(3)-S(2) bond length is 2.83 Å. The Ce(3)-S(6) bond length is 2.94 Å. The Ce(3)-S(7) bond length is 2.90 Å. There is one shorter (2.91 Å) and one longer (3.48 Å) Ce(3)-S(3) bond length. There is one shorter (2.87 Å) and one longer (2.98 Å) Ce(3)-S(4) bond length. Fe(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form face-sharing FeS6 octahedra. There is one shorter (2.50 Å) and one longer (2.56 Å) Fe(1)-S(1) bond length. There is one shorter (2.50 Å) and one longer (2.57 Å) Fe(1)-S(2) bond length. There is one shorter (2.50 Å) and one longer (2.57 Å) Fe(1)-S(3) bond length. Al(1) is bonded in a tetrahedral geometry to one S(4), one S(5), one S(6), and one S(7) atom. The Al(1)-S(4) bond length is 2.26 Å. The Al(1)-S(5) bond length is 2.26 Å. The Al(1)-S(6) bond length is 2.26 Å. The Al(1)-S(7) bond length is 2.22 Å. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), and two equivalent Fe(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), two equivalent Ce(3), and two equivalent Fe(1) atoms. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), two equivalent Ce(3), and one Al(1) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), two equivalent Ce(1), and one Al(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Ce(3), two equivalent Ce(2), and one Al(1) atom. In the seventh S site, S(7) is bonded in a tetrahedral geometry to one Ce(1), one Ce(2), one Ce(3), and one Al(1) atom.