Sr3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent Sr(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom to form distorted edge-sharing OSr3V tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one V(1) atom.
Sr3MgV2O8 crystallizes in the monoclinic Cm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Sr(1)-O(6) bond length is 2.36 Å. Both Sr(1)-O(2) bond lengths are 2.42 Å. Both Sr(1)-O(4) bond lengths are 2.66 Å. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Sr(2)-O(5) bond length is 2.40 Å. Both Sr(2)-O(1) bond lengths are 3.17 Å. Both Sr(2)-O(2) bond lengths are 2.51 Å. Both Sr(2)-O(4) bond lengths are 2.64 Å. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. The Sr(3)-O(3) bond length is 2.56 Å. The Sr(3)-O(5) bond length is 2.47 Å. Both Sr(3)-O(2) bond lengths are 2.44 Å. Both Sr(3)-O(4) bond lengths are 2.96 Å. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), and two equivalent O(4) atoms. The Mg(1)-O(1) bond length is 2.02 Å. The Mg(1)-O(6) bond length is 1.94 Å. Both Mg(1)-O(4) bond lengths are 2.05 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The V(1)-O(1) bond length is 1.86 Å. The V(1)-O(3) bond length is 2.11 Å. The V(1)-O(6) bond length is 1.99 Å. Both V(1)-O(2) bond lengths are 1.85 Å. In the second V site, V(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form corner-sharing VO4 tetrahedra. The V(2)-O(3) bond length is 1.82 Å. The V(2)-O(5) bond length is 1.77 Å. Both V(2)-O(4) bond lengths are 1.87 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to two equivalent Sr(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), and one V(1) atom to form distorted edge-sharing OSr3V tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Mg(1), and one V(1) atom.