MgV(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom.
MgV(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra and  a faceface with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. The Mg(1)-O(1) bond length is 2.16 Å. The Mg(1)-O(2) bond length is 2.13 Å. The Mg(1)-O(3) bond length is 2.13 Å. The Mg(1)-O(4) bond length is 2.16 Å. The Mg(1)-O(5) bond length is 2.17 Å. The Mg(1)-O(6) bond length is 2.13 Å. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. The V(1)-O(1) bond length is 2.18 Å. The V(1)-O(2) bond length is 2.17 Å. The V(1)-O(3) bond length is 2.17 Å. The V(1)-O(4) bond length is 2.18 Å. The V(1)-O(5) bond length is 2.18 Å. The V(1)-O(6) bond length is 2.17 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(4) bond length is 1.30 Å. The C(1)-O(5) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. The C(2)-O(2) bond length is 1.30 Å. The C(2)-O(3) bond length is 1.30 Å. The C(2)-O(6) bond length is 1.30 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom.