Mg6TiC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2), four equivalent Mg(3), and two equivalent C(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate 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 12-coordinate geometry to one Mg(4), two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(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 Ti(1) atoms. Ti(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 Ti(1) atoms.
Mg6TiC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Mg(2), four equivalent Mg(3), and two equivalent C(1) atoms. The Mg(1)-Mg(2) bond length is 3.24 Å. There are two shorter (3.18 Å) and two longer (3.22 Å) Mg(1)-Mg(3) bond lengths. Both Mg(1)-C(1) bond lengths are 2.51 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate 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 3.21 Å. Both Mg(2)-Mg(4) bond lengths are 3.04 Å. All Mg(2)-Mg(3) bond lengths are 2.96 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Mg(4), two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), two equivalent Ti(1), and one C(1) atom. The Mg(3)-Mg(4) bond length is 3.35 Å. Both Mg(3)-Mg(3) bond lengths are 3.21 Å. Both Mg(3)-Ti(1) bond lengths are 2.88 Å. The Mg(3)-C(1) bond length is 2.79 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 Ti(1) atoms. Both Mg(4)-Mg(4) bond lengths are 3.21 Å. Both Mg(4)-Ti(1) bond lengths are 3.06 Å. Ti(1) is bonded in a water-like geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent C(1) atoms. Both Ti(1)-C(1) bond lengths are 2.02 Å. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ti(1) atoms.