Mg14TiC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Ti(1), and one C(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted edge, face, and corner-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), one Ti(1), and one C(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Ti(1) atom. In the seventh Mg site, Mg(7) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(5) atoms.
Mg14TiC crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 2.99 Å. Both Mg(1)-Mg(6) bond lengths are 3.09 Å. There are two shorter (3.19 Å) and two longer (3.32 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.15 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.28 Å. There are two shorter (3.24 Å) and two longer (3.27 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.15 Å. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent Ti(1), and one C(1) atom. Both Mg(3)-Mg(6) bond lengths are 3.09 Å. There is one shorter (3.23 Å) and one longer (3.28 Å) Mg(3)-Ti(1) bond length. The Mg(3)-C(1) bond length is 2.31 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted edge, face, and corner-sharing MgMg12 cuboctahedra. There is one shorter (2.95 Å) and one longer (3.04 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.21 Å. Both Mg(4)-Mg(6) bond lengths are 3.06 Å. Both Mg(4)-Mg(7) bond lengths are 3.47 Å. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), one Ti(1), and one C(1) atom. There is one shorter (3.22 Å) and one longer (3.30 Å) Mg(5)-Mg(6) bond length. The Mg(5)-Ti(1) bond length is 3.00 Å. The Mg(5)-C(1) bond length is 2.72 Å. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Ti(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.03 Å. The Mg(6)-Ti(1) bond length is 2.93 Å. In the seventh Mg site, Mg(7) is bonded in a 7-coordinate geometry to one Mg(2), two equivalent Mg(4), and two equivalent Mg(6) atoms. Ti(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. C(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3) and four equivalent Mg(5) atoms.