Mg14CeFe 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 MgMg12 cuboctahedra that share corners with four equivalent Ce(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)Mg12 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 MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with two equivalent Ce(1)Mg10Fe2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(5), two equivalent Mg(7), two equivalent Ce(1), and one Fe(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Ce(1), and one Fe(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(7), four equivalent Mg(5), and one Fe(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ce(1) atom. Ce(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form distorted CeMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ce(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), four equivalent Mg(5), and two equivalent Ce(1) atoms.
Mg14CeFe 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 MgMg12 cuboctahedra that share corners with four equivalent Ce(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 2.96 Å. Both Mg(1)-Mg(6) bond lengths are 3.39 Å. There are two shorter (3.23 Å) and two longer (3.28 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.21 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 MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with two equivalent Ce(1)Mg10Fe2 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.07 Å. There are two shorter (3.19 Å) and two longer (3.32 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.19 Å. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(5), two equivalent Mg(7), two equivalent Ce(1), and one Fe(1) atom. Both Mg(3)-Mg(5) bond lengths are 3.02 Å. Both Mg(3)-Mg(7) bond lengths are 3.38 Å. There is one shorter (3.24 Å) and one longer (3.27 Å) Mg(3)-Ce(1) bond length. The Mg(3)-Fe(1) bond length is 2.92 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. There is one shorter (2.92 Å) and one longer (3.00 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.16 Å. Both Mg(4)-Mg(7) bond lengths are 3.04 Å. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Ce(1), and one Fe(1) atom. There is one shorter (2.93 Å) and one longer (2.99 Å) Mg(5)-Mg(5) bond length. There is one shorter (3.11 Å) and one longer (3.45 Å) Mg(5)-Mg(6) bond length. There is one shorter (3.21 Å) and one longer (3.32 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Ce(1) bond length is 3.25 Å. The Mg(5)-Fe(1) bond length is 3.13 Å. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(7), four equivalent Mg(5), and one Fe(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.03 Å. The Mg(6)-Fe(1) bond length is 2.79 Å. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ce(1) atom. The Mg(7)-Ce(1) bond length is 3.23 Å. Ce(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form distorted CeMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ce(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. Both Ce(1)-Fe(1) bond lengths are 2.97 Å. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), four equivalent Mg(5), and two equivalent Ce(1) atoms.