BaTm2S4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second Tm site, Tm(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Tm(2), and two equivalent Tm(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(1) and three equivalent Tm(2) atoms to form a mixture of corner and edge-sharing SBa2Tm3 square pyramids. In the third S site, S(3) is bonded to two equivalent Ba(1), one Tm(1), and two equivalent Tm(2) atoms to form a mixture of distorted corner and edge-sharing SBa2Tm3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ba(1) and three equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SBa2Tm3 trigonal bipyramids.
BaTm2S4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Both Ba(1)-S(1) bond lengths are 3.29 Å. Both Ba(1)-S(2) bond lengths are 3.19 Å. There is one shorter (3.33 Å) and one longer (3.36 Å) Ba(1)-S(3) bond length. Both Ba(1)-S(4) bond lengths are 3.20 Å. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. The Tm(1)-S(3) bond length is 2.73 Å. Both Tm(1)-S(1) bond lengths are 2.74 Å. There is one shorter (2.66 Å) and two longer (2.72 Å) Tm(1)-S(4) bond lengths. In the second Tm site, Tm(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. The Tm(2)-S(1) bond length is 2.75 Å. Both Tm(2)-S(3) bond lengths are 2.68 Å. There is one shorter (2.70 Å) and two longer (2.73 Å) Tm(2)-S(2) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Tm(2), and two equivalent Tm(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(1) and three equivalent Tm(2) atoms to form a mixture of corner and edge-sharing SBa2Tm3 square pyramids. In the third S site, S(3) is bonded to two equivalent Ba(1), one Tm(1), and two equivalent Tm(2) atoms to form a mixture of distorted corner and edge-sharing SBa2Tm3 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ba(1) and three equivalent Tm(1) atoms to form a mixture of distorted corner and edge-sharing SBa2Tm3 trigonal bipyramids.