Sr5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(1), and four equivalent Sb(3) atoms. In the third Sr site, Sr(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), 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 to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one In(1) atom to form a mixture of distorted edge, corner, and face-sharing SbSr6In pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one In(1), and one Sb(3) atom.
Sr5In2Sb6 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. Both Sr(1)-Sb(1) bond lengths are 3.40 Å. There is one shorter (3.37 Å) and one longer (3.40 Å) Sr(1)-Sb(2) bond length. Both Sr(1)-Sb(3) bond lengths are 3.40 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to two equivalent In(1), one Sb(2), two equivalent Sb(1), and four equivalent Sb(3) atoms. Both Sr(2)-In(1) bond lengths are 3.75 Å. The Sr(2)-Sb(2) bond length is 3.56 Å. Both Sr(2)-Sb(1) bond lengths are 3.43 Å. There are two shorter (3.47 Å) and two longer (3.64 Å) Sr(2)-Sb(3) bond lengths. In the third Sr site, Sr(3) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form a mixture of edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. Both Sr(3)-Sb(2) bond lengths are 3.36 Å. All Sr(3)-Sb(1) bond lengths are 3.39 Å. In(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. The In(1)-Sb(1) bond length is 2.86 Å. The In(1)-Sb(3) bond length is 3.05 Å. Both In(1)-Sb(2) bond lengths are 2.87 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one In(1) atom to form a mixture of distorted edge, corner, and face-sharing SbSr6In pentagonal bipyramids. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent In(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), one In(1), and one Sb(3) atom. The Sb(3)-Sb(3) bond length is 2.88 Å.