ScO7Br2 crystallizes in the orthorhombic Pnnm space group. Sc(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing ScO7 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. In the second O site, O(1) is bonded in a water-like geometry to two equivalent Sc(1) atoms. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Sc(1) and one Br(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Sc(1), one O(5), and one Br(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one Br(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent O(4) atoms. In the second Br site, Br(2) is bonded in a single-bond geometry to one O(2) and two equivalent O(3) atoms.
ScO7Br2 crystallizes in the orthorhombic Pnnm space group. Sc(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted edge-sharing ScO7 trigonal bipyramids. The Sc(1)-O(2) bond length is 2.30 Å. There is one shorter (1.93 Å) and one longer (1.99 Å) Sc(1)-O(1) bond length. Both Sc(1)-O(3) bond lengths are 2.96 Å. Both Sc(1)-O(4) bond lengths are 2.19 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent O(3) atoms. Both O(5)-O(3) bond lengths are 1.34 Å. In the second O site, O(1) is bonded in a water-like geometry to two equivalent Sc(1) atoms. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Sc(1) and one Br(2) atom. The O(2)-Br(2) bond length is 1.76 Å. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Sc(1), one O(5), and one Br(2) atom. The O(3)-Br(2) bond length is 2.58 Å. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one Br(1) atom. The O(4)-Br(1) bond length is 1.71 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent O(4) atoms. In the second Br site, Br(2) is bonded in a single-bond geometry to one O(2) and two equivalent O(3) atoms.