BaFe2S3 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Fe(1) atoms. In the second S site, S(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Fe(1) atoms.
BaFe2S3 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Both Ba(1)-S(2) bond lengths are 3.41 Å. There are a spread of Ba(1)-S(1) bond distances ranging from 3.26-3.64 Å. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. Both Fe(1)-S(1) bond lengths are 2.16 Å. Both Fe(1)-S(2) bond lengths are 2.16 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Fe(1) atoms. In the second S site, S(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent Fe(1) atoms.