Mg6Sb11O6Sb crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-36-0 atoms inside a Mg6Sb11O6 framework. In the Mg6Sb11O6 framework, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Sb(5), two equivalent Sb(3), and one O(1) atom. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Sb(6), two equivalent Sb(3), and one O(2) atom. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Sb site, Sb(3) is bonded in a hexagonal planar geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Sb(4) atoms. In the third Sb site, Sb(4) is bonded to two equivalent Sb(3), two equivalent Sb(6), and four equivalent Sb(5) atoms to form a mixture of distorted corner and edge-sharing SbSb8 hexagonal bipyramids. In the fourth Sb site, Sb(5) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Sb(4) atoms. In the fifth Sb site, Sb(6) is bonded in a distorted single-bond geometry to one Mg(2) and two equivalent Sb(4) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(2) and one Sb(1) atom.
Mg6Sb11O6Sb crystallizes in the monoclinic C2/m space group. The structure consists of two 7440-36-0 atoms inside a Mg6Sb11O6 framework. In the Mg6Sb11O6 framework, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Sb(5), two equivalent Sb(3), and one O(1) atom. The Mg(1)-Sb(5) bond length is 2.95 Å. There is one shorter (3.16 Å) and one longer (3.17 Å) Mg(1)-Sb(3) bond length. The Mg(1)-O(1) bond length is 1.95 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Sb(6), two equivalent Sb(3), and one O(2) atom. The Mg(2)-Sb(6) bond length is 2.94 Å. Both Mg(2)-Sb(3) bond lengths are 3.16 Å. The Mg(2)-O(2) bond length is 1.95 Å. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in an octahedral geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Sb(1)-O(2) bond lengths are 2.03 Å. All Sb(1)-O(1) bond lengths are 2.02 Å. In the second Sb site, Sb(3) is bonded in a hexagonal planar geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Sb(4) atoms. Both Sb(3)-Sb(4) bond lengths are 3.53 Å. In the third Sb site, Sb(4) is bonded to two equivalent Sb(3), two equivalent Sb(6), and four equivalent Sb(5) atoms to form a mixture of distorted corner and edge-sharing SbSb8 hexagonal bipyramids. Both Sb(4)-Sb(6) bond lengths are 3.11 Å. All Sb(4)-Sb(5) bond lengths are 3.11 Å. In the fourth Sb site, Sb(5) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Sb(4) atoms. In the fifth Sb site, Sb(6) is bonded in a distorted single-bond geometry to one Mg(2) and two equivalent Sb(4) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Mg(2) and one Sb(1) atom.