MgO is Moissanite-4H-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing MgO4 tetrahedra. In the second Mg site, Mg(2) is bonded to one O(1) and three equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. In the third Mg site, Mg(3) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. In the fifth Mg site, Mg(5) is bonded to one O(3) and three equivalent O(6) atoms to form corner-sharing MgO4 tetrahedra. In the sixth Mg site, Mg(6) is bonded to one O(6) and three equivalent O(5) atoms to form corner-sharing MgO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2) and three equivalent Mg(3) atoms to form corner-sharing OMg4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Mg(4) atoms to form corner-sharing OMg4 tetrahedra. In the third O site, O(3) is bonded to one Mg(5) and three equivalent Mg(2) atoms to form corner-sharing OMg4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(3) and three equivalent Mg(1) atoms to form corner-sharing OMg4 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(4) and three equivalent Mg(6) atoms to form corner-sharing OMg4 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(6) and three equivalent Mg(5) atoms to form corner-sharing OMg4 tetrahedra.
MgO is Moissanite-4H-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing MgO4 tetrahedra. The Mg(1)-O(2) bond length is 1.97 Å. All Mg(1)-O(4) bond lengths are 1.97 Å. In the second Mg site, Mg(2) is bonded to one O(1) and three equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. The Mg(2)-O(1) bond length is 1.97 Å. All Mg(2)-O(3) bond lengths are 1.98 Å. In the third Mg site, Mg(3) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. The Mg(3)-O(4) bond length is 1.98 Å. All Mg(3)-O(1) bond lengths are 1.97 Å. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. The Mg(4)-O(5) bond length is 1.99 Å. All Mg(4)-O(2) bond lengths are 1.97 Å. In the fifth Mg site, Mg(5) is bonded to one O(3) and three equivalent O(6) atoms to form corner-sharing MgO4 tetrahedra. The Mg(5)-O(3) bond length is 1.99 Å. There are two shorter (1.97 Å) and one longer (1.98 Å) Mg(5)-O(6) bond length. In the sixth Mg site, Mg(6) is bonded to one O(6) and three equivalent O(5) atoms to form corner-sharing MgO4 tetrahedra. The Mg(6)-O(6) bond length is 1.98 Å. All Mg(6)-O(5) bond lengths are 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2) and three equivalent Mg(3) atoms to form corner-sharing OMg4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Mg(4) atoms to form corner-sharing OMg4 tetrahedra. In the third O site, O(3) is bonded to one Mg(5) and three equivalent Mg(2) atoms to form corner-sharing OMg4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(3) and three equivalent Mg(1) atoms to form corner-sharing OMg4 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(4) and three equivalent Mg(6) atoms to form corner-sharing OMg4 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(6) and three equivalent Mg(5) atoms to form corner-sharing OMg4 tetrahedra.