GdScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent Gd(1) and two equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent Gd(1) and two equivalent Sc(1) atoms to form distorted corner-sharing SGd2Sc2 trigonal pyramids.
GdScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There is one shorter (2.75 Å) and one longer (2.76 Å) Gd(1)-S(2) bond length. There are a spread of Gd(1)-S(1) bond distances ranging from 2.80-3.39 Å. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. Both Sc(1)-S(2) bond lengths are 2.57 Å. There are two shorter (2.54 Å) and two longer (2.58 Å) Sc(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 Gd(1) and two equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent Gd(1) and two equivalent Sc(1) atoms to form distorted corner-sharing SGd2Sc2 trigonal pyramids.