CaMg14Fe crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form CaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Fe(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(5)CaMg10Fe cuboctahedra. 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 Fe(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Ca(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with four equivalent Mg(4)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 four equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Fe(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)CaMg11 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Fe(1) atoms. 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 MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)CaMg10Fe cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with eight equivalent Mg(5)CaMg10Fe cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Fe(1) atom to form distorted MgCaMg10Fe cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra, corners with ten equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Mg(6)CaMg11 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Ca2Mg10 cuboctahedra,  a faceface with one Ca(1)Mg10Fe2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Fe(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the sixth Mg site, Mg(6) is bonded to one Ca(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms to form distorted MgCaMg11 cuboctahedra that share corners with six equivalent Mg(6)CaMg11 cuboctahedra, corners with eight equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(5)CaMg10Fe cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra,  a faceface with one Ca(1)Mg10Fe2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)Mg12 cuboctahedra, faces with three equivalent Fe(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(5)CaMg10Fe cuboctahedra. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Fe(1) atom. Fe(1) is bonded to two equivalent Ca(1), two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms to form FeCa2Mg10 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Fe(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Ca(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with six equivalent Mg(6)CaMg11 cuboctahedra.
CaMg14Fe crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form CaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Fe(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(5)CaMg10Fe cuboctahedra. Both Ca(1)-Mg(6) bond lengths are 3.25 Å. There are two shorter (3.22 Å) and two longer (3.23 Å) Ca(1)-Mg(3) bond lengths. All Ca(1)-Mg(5) bond lengths are 3.20 Å. Both Ca(1)-Fe(1) bond lengths are 3.21 Å. 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 Fe(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Ca(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.20 Å. Both Mg(1)-Mg(6) bond lengths are 3.11 Å. There are two shorter (3.19 Å) and two longer (3.26 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.20 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 four equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Fe(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)CaMg11 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.27 Å. There are two shorter (3.21 Å) and two longer (3.24 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.14 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Fe(1) atoms. There is one shorter (3.07 Å) and one longer (3.33 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 3.13 Å. Both Mg(3)-Mg(6) bond lengths are 3.23 Å. Both Mg(3)-Mg(7) bond lengths are 3.10 Å. There is one shorter (3.04 Å) and one longer (3.41 Å) Mg(3)-Fe(1) bond length. 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 MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)CaMg10Fe cuboctahedra, edges with four equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with eight equivalent Mg(5)CaMg10Fe cuboctahedra. There is one shorter (3.15 Å) and one longer (3.26 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.18 Å. Both Mg(4)-Mg(6) bond lengths are 3.09 Å. Both Mg(4)-Mg(7) bond lengths are 3.32 Å. In the fifth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Fe(1) atom to form distorted MgCaMg10Fe cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra, corners with ten equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Mg(6)CaMg11 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Ca2Mg10 cuboctahedra,  a faceface with one Ca(1)Mg10Fe2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Fe(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. There is one shorter (3.07 Å) and one longer (3.34 Å) Mg(5)-Mg(5) bond length. There is one shorter (3.18 Å) and one longer (3.28 Å) Mg(5)-Mg(6) bond length. There is one shorter (3.13 Å) and one longer (3.33 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Fe(1) bond length is 3.09 Å. In the sixth Mg site, Mg(6) is bonded to one Ca(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms to form distorted MgCaMg11 cuboctahedra that share corners with six equivalent Mg(6)CaMg11 cuboctahedra, corners with eight equivalent Mg(5)CaMg10Fe cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(5)CaMg10Fe cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra,  a faceface with one Ca(1)Mg10Fe2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(6)CaMg11 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)Mg12 cuboctahedra, faces with three equivalent Fe(1)Ca2Mg10 cuboctahedra, and faces with four equivalent Mg(5)CaMg10Fe cuboctahedra. Both Mg(6)-Mg(7) bond lengths are 3.22 Å. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Fe(1) atom. The Mg(7)-Fe(1) bond length is 3.05 Å. Fe(1) is bonded to two equivalent Ca(1), two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms to form FeCa2Mg10 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Fe(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ca(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(5)CaMg10Fe cuboctahedra, faces with two equivalent Ca(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(5)CaMg10Fe cuboctahedra, and faces with six equivalent Mg(6)CaMg11 cuboctahedra.