Ce2Fe2S5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one S(2), one S(4), one S(5), and two equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(4), and two equivalent S(5) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Fe(2), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing SCe4Fe trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing SCe4Fe square pyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Ce(2), two equivalent Ce(1), one Fe(1), and two equivalent Fe(2) atoms. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Ce(1), two equivalent Ce(2), one Fe(1), and two equivalent Fe(2) atoms.
Ce2Fe2S5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one S(1), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. The Ce(1)-S(1) bond length is 2.98 Å. The Ce(1)-S(5) bond length is 2.95 Å. Both Ce(1)-S(2) bond lengths are 2.86 Å. Both Ce(1)-S(3) bond lengths are 2.93 Å. Both Ce(1)-S(4) bond lengths are 2.87 Å. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), two equivalent S(2), two equivalent S(3), and two equivalent S(5) atoms. The Ce(2)-S(1) bond length is 2.93 Å. The Ce(2)-S(4) bond length is 2.99 Å. Both Ce(2)-S(2) bond lengths are 2.89 Å. Both Ce(2)-S(3) bond lengths are 2.90 Å. Both Ce(2)-S(5) bond lengths are 2.89 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one S(2), one S(4), one S(5), and two equivalent S(1) atoms. The Fe(1)-S(2) bond length is 2.35 Å. The Fe(1)-S(4) bond length is 2.62 Å. The Fe(1)-S(5) bond length is 2.29 Å. Both Fe(1)-S(1) bond lengths are 2.35 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(4), and two equivalent S(5) atoms. The Fe(2)-S(1) bond length is 2.60 Å. The Fe(2)-S(3) bond length is 2.53 Å. Both Fe(2)-S(4) bond lengths are 2.55 Å. Both Fe(2)-S(5) bond lengths are 2.58 Å. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Fe(2), and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing SCe4Fe trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing SCe4Fe square pyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Ce(2), two equivalent Ce(1), one Fe(1), and two equivalent Fe(2) atoms. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Ce(1), two equivalent Ce(2), one Fe(1), and two equivalent Fe(2) atoms.