BaMg6Mo crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form BaMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Mg10Mo2 cuboctahedra, and faces with two equivalent Mg(2)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ba(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mo(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Mg10Mo2 cuboctahedra, faces with two equivalent Ba(1)Mg10Mo2 cuboctahedra, and faces with two equivalent Mg(2)Ba2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Mo(1) atom. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Mo(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.
BaMg6Mo crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms to form BaMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(2)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Mg10Mo2 cuboctahedra, and faces with two equivalent Mg(2)Ba2Mg10 cuboctahedra. Both Ba(1)-Mg(2) bond lengths are 3.32 Å. There are two shorter (3.20 Å) and two longer (3.45 Å) Ba(1)-Mg(1) bond lengths. All Ba(1)-Mg(3) bond lengths are 3.36 Å. Both Ba(1)-Mo(1) bond lengths are 3.33 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Ba(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mo(1) atoms. The Mg(1)-Mg(1) bond length is 3.06 Å. There is one shorter (3.27 Å) and one longer (3.39 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.17 Å. Both Mg(1)-Mg(4) bond lengths are 3.29 Å. Both Mg(1)-Mo(1) bond lengths are 3.10 Å. In the second Mg site, Mg(2) is bonded to two equivalent Ba(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Mg10Mo2 cuboctahedra, faces with two equivalent Ba(1)Mg10Mo2 cuboctahedra, and faces with two equivalent Mg(2)Ba2Mg10 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.24 Å. All Mg(2)-Mg(3) bond lengths are 3.18 Å. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and one Mo(1) atom. There is one shorter (3.30 Å) and one longer (3.37 Å) Mg(3)-Mg(4) bond length. The Mg(3)-Mo(1) bond length is 2.96 Å. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mo(1) atoms. Both Mg(4)-Mo(1) bond lengths are 3.33 Å. Mo(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms.