BaCaMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaCa2Mg10 cuboctahedra that share corners with six equivalent Ba(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CaBa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), and two equivalent Mg(2) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Mg(2) atoms.
BaCaMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaCa2Mg10 cuboctahedra that share corners with six equivalent Ba(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. Both Ba(1)-Ca(1) bond lengths are 3.56 Å. Both Ba(1)-Mg(4) bond lengths are 3.53 Å. All Ba(1)-Mg(1) bond lengths are 3.45 Å. There are two shorter (3.45 Å) and two longer (3.61 Å) Ba(1)-Mg(3) bond lengths. Ca(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CaBa2Mg10 cuboctahedra that share corners with six equivalent Ca(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. Both Ca(1)-Mg(2) bond lengths are 3.53 Å. There are two shorter (3.33 Å) and two longer (3.73 Å) Ca(1)-Mg(1) bond lengths. All Ca(1)-Mg(3) bond lengths are 3.36 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), and two equivalent Mg(2) atoms. There is one shorter (3.50 Å) and one longer (3.56 Å) Mg(1)-Mg(2) bond length. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.44 Å. All Mg(2)-Mg(3) bond lengths are 3.42 Å. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Mg(2) atoms.