Ba(YbS2)2 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 Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form YbS6 octahedra that share corners with four equivalent Yb(2)S5 square pyramids and edges with four equivalent Yb(1)S6 octahedra. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form YbS5 square pyramids that share corners with four equivalent Yb(1)S6 octahedra and edges with two equivalent Yb(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 54-67°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SBa2Yb3 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Yb(2), and one S(4) atom. In the third S site, S(3) is bonded to two equivalent Ba(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted edge and corner-sharing SBa2Yb3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), three equivalent Yb(1), and one S(2) atom.
Ba(YbS2)2 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 3.16 Å. Both Ba(1)-S(2) bond lengths are 3.24 Å. There is one shorter (3.19 Å) and one longer (3.27 Å) Ba(1)-S(3) bond length. Both Ba(1)-S(4) bond lengths are 3.36 Å. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form YbS6 octahedra that share corners with four equivalent Yb(2)S5 square pyramids and edges with four equivalent Yb(1)S6 octahedra. The Yb(1)-S(3) bond length is 2.84 Å. Both Yb(1)-S(1) bond lengths are 2.73 Å. There are two shorter (2.96 Å) and one longer (2.99 Å) Yb(1)-S(4) bond length. In the second Yb site, Yb(2) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form YbS5 square pyramids that share corners with four equivalent Yb(1)S6 octahedra and edges with two equivalent Yb(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 54-67°. The Yb(2)-S(1) bond length is 2.64 Å. Both Yb(2)-S(2) bond lengths are 2.97 Å. Both Yb(2)-S(3) bond lengths are 2.73 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), one Yb(2), and two equivalent Yb(1) atoms to form distorted edge-sharing SBa2Yb3 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Yb(2), and one S(4) atom. The S(2)-S(4) bond length is 2.12 Å. In the third S site, S(3) is bonded to two equivalent Ba(1), one Yb(1), and two equivalent Yb(2) atoms to form a mixture of distorted edge and corner-sharing SBa2Yb3 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), three equivalent Yb(1), and one S(2) atom.