MgZnO7Br4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(3), and one Br(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(7) atom. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one O(7) atom. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one O(3) and one O(6) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Br(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one O(4) and one O(5) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to one Zn(1) and one O(2) atom.
MgZnO7Br4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.09 Å. Both Mg(1)-O(2) bond lengths are 2.03 Å. Both Mg(1)-O(3) bond lengths are 2.31 Å. In the second Mg site, Mg(2) is bonded in a distorted octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Mg(2)-O(4) bond lengths are 2.09 Å. Both Mg(2)-O(5) bond lengths are 2.60 Å. Both Mg(2)-O(6) bond lengths are 2.08 Å. Zn(1) is bonded in a trigonal planar geometry to one Br(1), one Br(3), and one Br(4) atom. The Zn(1)-Br(1) bond length is 2.47 Å. The Zn(1)-Br(3) bond length is 2.27 Å. The Zn(1)-Br(4) bond length is 2.43 Å. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one O(7) atom. The O(3)-O(7) bond length is 1.34 Å. In the second O site, O(4) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. The O(4)-Br(2) bond length is 1.74 Å. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(2) and one Br(2) atom. The O(5)-Br(2) bond length is 1.72 Å. In the fourth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one O(7) atom. The O(6)-O(7) bond length is 1.35 Å. In the fifth O site, O(7) is bonded in a bent 120 degrees geometry to one O(3) and one O(6) atom. In the sixth O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Br(1) atom. The O(1)-Br(1) bond length is 1.78 Å. In the seventh O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Br(4) atom. The O(2)-Br(4) bond length is 1.77 Å. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to one Zn(1) and one O(1) atom. In the second Br site, Br(2) is bonded in a water-like geometry to one O(4) and one O(5) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to one Zn(1) and one O(2) atom.