BaMg6C crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a water-like geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms to form a mixture of distorted face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(2), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form a mixture of face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms.
BaMg6C crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Ba(1)-Ba(1) bond lengths are 3.47 Å. Both Ba(1)-Mg(1) bond lengths are 3.37 Å. Both Ba(1)-Mg(2) bond lengths are 4.17 Å. Both Ba(1)-Mg(4) bond lengths are 3.72 Å. All Ba(1)-Mg(3) bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a water-like geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent C(1) atoms. The Mg(1)-Mg(2) bond length is 3.45 Å. Both Mg(1)-Mg(4) bond lengths are 3.24 Å. Both Mg(1)-C(1) bond lengths are 2.26 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms to form a mixture of distorted face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. Both Mg(2)-Mg(2) bond lengths are 3.47 Å. Both Mg(2)-Mg(4) bond lengths are 3.27 Å. All Mg(2)-Mg(3) bond lengths are 3.32 Å. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Ba(1), one Mg(4), two equivalent Mg(2), and one C(1) atom. The Mg(3)-Mg(4) bond length is 3.18 Å. The Mg(3)-C(1) bond length is 2.38 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms to form a mixture of face, edge, and corner-sharing MgBa2Mg10 cuboctahedra. Both Mg(4)-Mg(4) bond lengths are 3.47 Å. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(1) atoms.