CaMg6Y is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded to four equivalent Mg(1) and eight Mg(2,2,2) atoms to form CaMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra; corners with eight equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; faces with four equivalent Y(1)Mg12 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1); eight Mg(2,2,2); and two equivalent Y(1) atoms to form MgCa2Y2Mg8 cuboctahedra that share corners with twelve equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. Y(1) is bonded to four equivalent Mg(1) and eight Mg(2,2,2) atoms to form YMg12 cuboctahedra that share corners with four equivalent Y(1)Mg12 cuboctahedra; corners with eight equivalent Ca(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Ca(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra.
CaMg6Y is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded to four equivalent Mg(1) and eight Mg(2,2,2) atoms to form CaMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra; corners with eight equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; faces with four equivalent Y(1)Mg12 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. All Ca(1)-Mg(1) bond lengths are 3.37 Å. All Ca(1)-Mg(2,2,2) bond lengths are 3.36 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1); eight Mg(2,2,2); and two equivalent Y(1) atoms to form MgCa2Y2Mg8 cuboctahedra that share corners with twelve equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. All Mg(1)-Mg(2,2,2) bond lengths are 3.32 Å. Both Mg(1)-Y(1) bond lengths are 3.37 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.45 Å) Mg(2)-Mg(2,2) bond lengths. Both Mg(2)-Y(1) bond lengths are 3.28 Å. In the third Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.45 Å) Mg(2)-Mg(2,2) bond lengths. Both Mg(2)-Y(1) bond lengths are 3.28 Å. In the fourth Mg site, Mg(2) is bonded to two equivalent Ca(1); four equivalent Mg(1); four Mg(2,2); and two equivalent Y(1) atoms to form distorted MgCa2Y2Mg8 cuboctahedra that share corners with twelve Mg(2,2)Ca2Y2Mg8 cuboctahedra; edges with four equivalent Ca(1)Mg12 cuboctahedra; edges with four equivalent Y(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with eight Mg(2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with ten Mg(2,2,2)Ca2Y2Mg8 cuboctahedra. Both Mg(2)-Y(1) bond lengths are 3.28 Å. Y(1) is bonded to four equivalent Mg(1) and eight Mg(2,2,2) atoms to form YMg12 cuboctahedra that share corners with four equivalent Y(1)Mg12 cuboctahedra; corners with eight equivalent Ca(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; edges with sixteen Mg(2,2,2)Ca2Y2Mg8 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Ca(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Ca2Y2Mg8 cuboctahedra; and faces with eight Mg(2,2,2)Ca2Y2Mg8 cuboctahedra.