MgYbS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted edge-sharing MgS6 pentagonal pyramids. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Yb(1) atoms. In the second S site, S(2) is bonded to two equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted edge-sharing SYb2Mg2 tetrahedra.
MgYbS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form distorted edge-sharing MgS6 pentagonal pyramids. Both Mg(1)-S(2) bond lengths are 2.54 Å. There are two shorter (2.58 Å) and two longer (2.59 Å) Mg(1)-S(1) bond lengths. Yb(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There is one shorter (2.73 Å) and one longer (2.80 Å) Yb(1)-S(2) bond length. There are a spread of Yb(1)-S(1) bond distances ranging from 2.90-3.12 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Yb(1) atoms. In the second S site, S(2) is bonded to two equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted edge-sharing SYb2Mg2 tetrahedra.