CsMg6V crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form a mixture of face and corner-sharing CsMg10V2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one V(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent V(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. V(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms.
CsMg6V crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms to form a mixture of face and corner-sharing CsMg10V2 cuboctahedra. Both Cs(1)-Mg(4) bond lengths are 3.39 Å. All Cs(1)-Mg(1) bond lengths are 3.43 Å. There are two shorter (3.37 Å) and two longer (3.48 Å) Cs(1)-Mg(3) bond lengths. Both Cs(1)-V(1) bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one V(1) atom. The Mg(1)-Mg(1) bond length is 2.98 Å. There is one shorter (3.43 Å) and one longer (3.44 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.30 Å. Both Mg(1)-Mg(4) bond lengths are 3.27 Å. The Mg(1)-V(1) bond length is 2.95 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent V(1) atoms. Both Mg(2)-Mg(4) bond lengths are 3.28 Å. All Mg(2)-Mg(3) bond lengths are 3.35 Å. Both Mg(2)-V(1) bond lengths are 3.40 Å. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent V(1) atoms. Both Mg(3)-V(1) bond lengths are 3.16 Å. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. V(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms.