Mg3WO6 crystallizes in the monoclinic P2_1/c 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 O(3) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W tetrahedra. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mg(2), and one W(1) atom.
Mg3WO6 crystallizes in the monoclinic P2_1/c 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 O(3) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. Both Mg(1)-O(1) bond lengths are 2.19 Å. Both Mg(1)-O(2) bond lengths are 2.11 Å. Both Mg(1)-O(3) bond lengths are 2.02 Å. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.07 Å) and one longer (2.14 Å) Mg(2)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.45 Å) Mg(2)-O(2) bond length. There are a spread of Mg(2)-O(3) bond distances ranging from 2.07-2.66 Å. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. Both W(1)-O(1) bond lengths are 1.98 Å. Both W(1)-O(2) bond lengths are 1.95 Å. Both W(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W tetrahedra. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OMg3W trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mg(2), and one W(1) atom.