Mg14CrFe crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Fe(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrFe cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg10Cr2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrFe cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Cr(1), and one Fe(1) atom to form distorted MgMg10CrFe cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CrFe cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with two equivalent Fe(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg10CrFe cuboctahedra, edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra,  a faceface with one Cr(1)Mg12 cuboctahedra,  a faceface with one Fe(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with five equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrFe cuboctahedra. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(3)Mg10CrFe cuboctahedra, edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with three equivalent Cr(1)Mg12 cuboctahedra, faces with three equivalent Fe(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrFe cuboctahedra. Cr(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Fe(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with six equivalent Mg(3)Mg10CrFe cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10CrFe cuboctahedra, faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.
Mg14CrFe crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with two equivalent Fe(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrFe cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. All Mg(1)-Mg(1) bond lengths are 3.16 Å. All Mg(1)-Mg(3) bond lengths are 3.07 Å. Both Mg(1)-Fe(1) bond lengths are 3.16 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg10Cr2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrFe cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.08 Å. There are two shorter (3.15 Å) and two longer (3.18 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3) bond lengths are 3.13 Å. Both Mg(2)-Cr(1) bond lengths are 3.16 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Cr(1), and one Fe(1) atom to form distorted MgMg10CrFe cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CrFe cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with two equivalent Fe(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg10CrFe cuboctahedra, edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra,  a faceface with one Cr(1)Mg12 cuboctahedra,  a faceface with one Fe(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with five equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrFe cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.16 Å. There are two shorter (3.05 Å) and two longer (3.28 Å) Mg(3)-Mg(3) bond lengths. The Mg(3)-Cr(1) bond length is 3.07 Å. The Mg(3)-Fe(1) bond length is 3.01 Å. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(3)Mg10CrFe cuboctahedra, edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra, faces with three equivalent Cr(1)Mg12 cuboctahedra, faces with three equivalent Fe(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrFe cuboctahedra. Cr(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Fe(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra, faces with six equivalent Mg(3)Mg10CrFe cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrFe cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10CrFe cuboctahedra, faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.