MgV4O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(2) atoms to form a mixture of distorted edge and corner-sharing OMg2V3 trigonal bipyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded to two equivalent Mg(1), one V(2), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OMg2V3 trigonal bipyramids.
MgV4O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. There is one shorter (2.24 Å) and one longer (2.25 Å) Mg(1)-O(6) bond length. There is one shorter (2.24 Å) and one longer (2.25 Å) Mg(1)-O(8) bond length. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The V(1)-O(2) bond length is 1.85 Å. The V(1)-O(7) bond length is 1.93 Å. Both V(1)-O(4) bond lengths are 1.95 Å. Both V(1)-O(5) bond lengths are 2.01 Å. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The V(2)-O(4) bond length is 1.91 Å. The V(2)-O(8) bond length is 2.56 Å. Both V(2)-O(3) bond lengths are 1.98 Å. There is one shorter (2.12 Å) and one longer (2.13 Å) V(2)-O(6) bond length. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The V(3)-O(1) bond length is 1.91 Å. The V(3)-O(6) bond length is 2.55 Å. Both V(3)-O(2) bond lengths are 1.98 Å. There is one shorter (2.12 Å) and one longer (2.13 Å) V(3)-O(8) bond length. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The V(4)-O(3) bond length is 1.85 Å. The V(4)-O(5) bond length is 1.94 Å. Both V(4)-O(1) bond lengths are 1.95 Å. Both V(4)-O(7) bond lengths are 2.01 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(2) atoms to form a mixture of distorted edge and corner-sharing OMg2V3 trigonal bipyramids. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded to two equivalent Mg(1), one V(2), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OMg2V3 trigonal bipyramids.