Yb5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Sb(2) and four equivalent Sb(3) atoms to form a mixture of distorted edge, face, and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. In the third Yb site, Yb(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. In(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Yb(3), four equivalent Yb(1), one In(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(2), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded to two equivalent Yb(1), four equivalent Yb(2), and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing SbYb6In pentagonal bipyramids.
Yb5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. Both Yb(1)-In(1) bond lengths are 3.59 Å. The Yb(1)-Sb(2) bond length is 3.21 Å. Both Yb(1)-Sb(3) bond lengths are 3.23 Å. There are two shorter (3.25 Å) and two longer (3.57 Å) Yb(1)-Sb(1) bond lengths. In the second Yb site, Yb(2) is bonded to two equivalent Sb(2) and four equivalent Sb(3) atoms to form a mixture of distorted edge, face, and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 25-51°. There is one shorter (3.19 Å) and one longer (3.21 Å) Yb(2)-Sb(2) bond length. There are two shorter (3.23 Å) and two longer (3.24 Å) Yb(2)-Sb(3) bond lengths. In the third Yb site, Yb(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. Both Yb(3)-Sb(2) bond lengths are 3.17 Å. All Yb(3)-Sb(1) bond lengths are 3.18 Å. In(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. The In(1)-Sb(1) bond length is 2.94 Å. The In(1)-Sb(3) bond length is 2.83 Å. Both In(1)-Sb(2) bond lengths are 2.83 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Yb(3), four equivalent Yb(1), one In(1), and one Sb(1) atom. The Sb(1)-Sb(1) bond length is 2.90 Å. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(2), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded to two equivalent Yb(1), four equivalent Yb(2), and one In(1) atom to form a mixture of distorted edge, face, and corner-sharing SbYb6In pentagonal bipyramids.