Mg6MoC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) and one Mo(1) atom. 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 distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. In the fourth Mg site, Mg(4) is bonded in a single-bond geometry to two equivalent Mg(2) and one C(1) atom. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. C(1) is bonded to one Mg(4), two equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted corner-sharing CMg3Mo2 trigonal bipyramids.
Mg6MoC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) and one Mo(1) atom. The Mg(1)-Mg(2) bond length is 3.14 Å. The Mg(1)-Mo(1) bond length is 2.82 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 3.16 Å. Both Mg(2)-Mg(4) bond lengths are 3.27 Å. All Mg(2)-Mg(3) bond lengths are 3.08 Å. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(2) and one C(1) atom. The Mg(3)-C(1) bond length is 2.39 Å. In the fourth Mg site, Mg(4) is bonded in a single-bond geometry to two equivalent Mg(2) and one C(1) atom. The Mg(4)-C(1) bond length is 2.18 Å. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and two equivalent C(1) atoms. Both Mo(1)-C(1) bond lengths are 1.96 Å. C(1) is bonded to one Mg(4), two equivalent Mg(3), and two equivalent Mo(1) atoms to form distorted corner-sharing CMg3Mo2 trigonal bipyramids.