UNiS3 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Ni(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. 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 Ni(1) atoms. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Ni(1) atoms to form distorted corner-sharing SU2Ni2 trigonal pyramids.
UNiS3 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There is one shorter (2.65 Å) and one longer (2.75 Å) U(1)-S(2) bond length. There are a spread of U(1)-S(1) bond distances ranging from 2.68-2.89 Å. Ni(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing NiS6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. Both Ni(1)-S(2) bond lengths are 2.28 Å. There are two shorter (2.32 Å) and two longer (2.60 Å) Ni(1)-S(1) bond lengths. 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 Ni(1) atoms. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Ni(1) atoms to form distorted corner-sharing SU2Ni2 trigonal pyramids.