Yb2S3 crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to three equivalent S(2) and three equivalent S(3) atoms. In the third Yb site, Yb(3) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. In the fourth Yb site, Yb(4) is bonded in a distorted octahedral geometry to three equivalent S(1) and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Yb(1), one Yb(4), two equivalent Yb(3), and one S(2) atom to form a mixture of distorted edge and corner-sharing SYb4S trigonal bipyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), and one S(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Yb(4), two equivalent Yb(2), and two equivalent Yb(3) atoms.
Yb2S3 crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 3-coordinate geometry to three equivalent S(1) atoms. All Yb(1)-S(1) bond lengths are 2.72 Å. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to three equivalent S(2) and three equivalent S(3) atoms. All Yb(2)-S(2) bond lengths are 2.87 Å. All Yb(2)-S(3) bond lengths are 2.79 Å. In the third Yb site, Yb(3) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. All Yb(3)-S(1) bond lengths are 2.77 Å. All Yb(3)-S(2) bond lengths are 3.09 Å. All Yb(3)-S(3) bond lengths are 3.08 Å. In the fourth Yb site, Yb(4) is bonded in a distorted octahedral geometry to three equivalent S(1) and three equivalent S(3) atoms. All Yb(4)-S(1) bond lengths are 2.83 Å. All Yb(4)-S(3) bond lengths are 2.73 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Yb(1), one Yb(4), two equivalent Yb(3), and one S(2) atom to form a mixture of distorted edge and corner-sharing SYb4S trigonal bipyramids. The S(1)-S(2) bond length is 2.08 Å. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Yb(2), two equivalent Yb(3), and one S(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Yb(4), two equivalent Yb(2), and two equivalent Yb(3) atoms.