Mg14WC crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent Mg(4) and two equivalent W(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. In the third Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. In the fourth Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. In the fifth Mg site, Mg(3) is bonded in a 2-coordinate geometry to two Mg(2,2); two equivalent Mg(4); one W(1); and one C(1) atom. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2,2); and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with three equivalent W(1)Mg12 cuboctahedra. W(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form WMg12 cuboctahedra that share corners with six equivalent W(1)Mg12 cuboctahedra and faces with six equivalent Mg(4)Mg12 cuboctahedra. C(1) is bonded in a 6-coordinate geometry to six equivalent Mg(3) atoms.
Mg14WC crystallizes in the hexagonal P-6m2 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to two equivalent Mg(4) and two equivalent W(1) atoms. Both Mg(1)-Mg(4) bond lengths are 2.97 Å. Both Mg(1)-W(1) bond lengths are 3.11 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.01 Å. There are two shorter (3.08 Å) and two longer (3.15 Å) Mg(2)-Mg(2,2) bond lengths. All Mg(2)-Mg(3) bond lengths are 2.97 Å. In the third Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.01 Å. There is one shorter (3.08 Å) and one longer (3.15 Å) Mg(2)-Mg(2) bond length. All Mg(2)-Mg(3) bond lengths are 2.97 Å. In the fourth Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.01 Å. All Mg(2)-Mg(3) bond lengths are 2.97 Å. In the fifth Mg site, Mg(3) is bonded in a 2-coordinate geometry to two Mg(2,2); two equivalent Mg(4); one W(1); and one C(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.12 Å. The Mg(3)-W(1) bond length is 2.97 Å. The Mg(3)-C(1) bond length is 2.83 Å. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2,2); and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with three equivalent W(1)Mg12 cuboctahedra. W(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form WMg12 cuboctahedra that share corners with six equivalent W(1)Mg12 cuboctahedra and faces with six equivalent Mg(4)Mg12 cuboctahedra. C(1) is bonded in a 6-coordinate geometry to six equivalent Mg(3) atoms.