UFeS3 crystallizes in the orthorhombic Cmcm space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Fe(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent U(1) and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent Fe(1) atoms.
UFeS3 crystallizes in the orthorhombic Cmcm space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both U(1)-S(2) bond lengths are 2.73 Å. There are four shorter (2.76 Å) and two longer (2.89 Å) U(1)-S(1) bond lengths. Fe(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing FeS6 octahedra. The corner-sharing octahedral tilt angles are 43°. Both Fe(1)-S(2) bond lengths are 2.28 Å. All Fe(1)-S(1) bond lengths are 2.34 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent U(1) and two equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent U(1) and two equivalent Fe(1) atoms.