Mg6VC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Mg(2) and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to one Mg(4), two equivalent Mg(2), two equivalent V(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. V(1) is bonded in a water-like geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent C(1) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent V(1) atoms.
Mg6VC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Mg(2) and two equivalent C(1) atoms. The Mg(1)-Mg(2) bond length is 3.29 Å. Both Mg(1)-C(1) bond lengths are 2.48 Å. In the second Mg site, Mg(2) is bonded in a distorted q6 geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(2) bond lengths are 3.09 Å. Both Mg(2)-Mg(4) bond lengths are 3.08 Å. All Mg(2)-Mg(3) bond lengths are 3.02 Å. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to one Mg(4), two equivalent Mg(2), two equivalent V(1), and one C(1) atom. The Mg(3)-Mg(4) bond length is 3.23 Å. Both Mg(3)-V(1) bond lengths are 2.83 Å. The Mg(3)-C(1) bond length is 2.78 Å. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. Both Mg(4)-Mg(4) bond lengths are 3.09 Å. Both Mg(4)-V(1) bond lengths are 3.02 Å. V(1) is bonded in a water-like geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent C(1) atoms. Both V(1)-C(1) bond lengths are 1.92 Å. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent V(1) atoms.