CaMg6Mn is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form CaMg10Mn2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCa2Mg8Mn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with four equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mn(1)Ca2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCa2Mg8Mn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with four equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with two equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with four equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Mn2 cuboctahedra. Mn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MnCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with six equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with four equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra.
CaMg6Mn is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form CaMg10Mn2 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Mn2 cuboctahedra. Both Ca(1)-Mg(2) bond lengths are 3.27 Å. There are two shorter (3.19 Å) and two longer (3.35 Å) Ca(1)-Mg(1) bond lengths. All Ca(1)-Mg(3) bond lengths are 3.24 Å. Both Ca(1)-Mn(1) bond lengths are 3.22 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCa2Mg8Mn2 cuboctahedra that share corners with four equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with four equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, and faces with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra. There is one shorter (3.11 Å) and one longer (3.42 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.21 Å) and one longer (3.34 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.14 Å. Both Mg(1)-Mg(4) bond lengths are 3.22 Å. Both Mg(1)-Mn(1) bond lengths are 3.11 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, edges with four equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mn(1)Ca2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.20 Å. All Mg(2)-Mg(3) bond lengths are 3.16 Å. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCa2Mg8Mn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with four equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with ten equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with two equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra. There is one shorter (3.15 Å) and one longer (3.38 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.24 Å) and one longer (3.31 Å) Mg(3)-Mg(4) bond length. There is one shorter (3.08 Å) and one longer (3.46 Å) Mg(3)-Mn(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with four equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Ca(1)Mg10Mn2 cuboctahedra. Both Mg(4)-Mn(1) bond lengths are 3.27 Å. Mn(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MnCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10Mn2 cuboctahedra, corners with six equivalent Mn(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with two equivalent Mg(4)Mg10Mn2 cuboctahedra, edges with four equivalent Ca(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, edges with eight equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with two equivalent Ca(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mg(4)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Ca2Mg8Mn2 cuboctahedra, faces with four equivalent Mg(3)Ca2Mg8Mn2 cuboctahedra, and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra.