Mg2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted edge-sharing MgCl2O4 octahedra. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mg(2), and one O(2) atom. Cl(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms.
Mg2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted edge-sharing MgCl2O4 octahedra. Both Mg(1)-O(1) bond lengths are 2.04 Å. Both Mg(1)-O(2) bond lengths are 2.13 Å. Both Mg(1)-Cl(1) bond lengths are 2.56 Å. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. The Mg(2)-O(1) bond length is 2.10 Å. There are two shorter (2.03 Å) and two longer (2.05 Å) Mg(2)-O(2) bond lengths. The Mg(2)-Cl(1) bond length is 2.65 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mg(2), and one O(2) atom. The O(2)-O(2) bond length is 1.59 Å. Cl(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms.