MgV2(CO3)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. 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(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom.
MgV2(CO3)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. Both Mg(1)-O(1) bond lengths are 2.14 Å. Both Mg(1)-O(4) bond lengths are 2.19 Å. Both Mg(1)-O(5) bond lengths are 2.13 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. Both V(1)-O(1) bond lengths are 2.13 Å. Both V(1)-O(3) bond lengths are 2.02 Å. Both V(1)-O(5) bond lengths are 2.03 Å. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. Both V(2)-O(2) bond lengths are 2.01 Å. Both V(2)-O(4) bond lengths are 2.20 Å. Both V(2)-O(6) bond lengths are 1.98 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(2), and one O(4) atom. The C(1)-O(1) bond length is 1.32 Å. The C(1)-O(2) bond length is 1.26 Å. The C(1)-O(4) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. The C(2)-O(3) bond length is 1.27 Å. The C(2)-O(5) bond length is 1.34 Å. The C(2)-O(6) bond length is 1.27 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom.