Mg6WB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and one B(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent B(1) atoms. W(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent B(1) atoms to form a mixture of face and corner-sharing WMg10B2 cuboctahedra. B(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent W(1) atoms.
Mg6WB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and one B(1) atom. There is one shorter (2.75 Å) and one longer (2.76 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 2.91 Å. Both Mg(1)-Mg(3) bond lengths are 2.98 Å. Both Mg(1)-Mg(4) bond lengths are 3.04 Å. There is one shorter (3.00 Å) and one longer (3.05 Å) Mg(1)-W(1) bond length. The Mg(1)-B(1) bond length is 2.93 Å. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent B(1) atoms. There is one shorter (2.69 Å) and one longer (2.82 Å) Mg(2)-Mg(2) bond length. There is one shorter (2.94 Å) and one longer (3.11 Å) Mg(2)-Mg(3) bond length. There is one shorter (2.85 Å) and one longer (3.21 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-W(1) bond lengths are 2.95 Å. Both Mg(2)-B(1) bond lengths are 2.94 Å. In the third Mg site, Mg(3) is bonded in a distorted bent 120 degrees geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms. Both Mg(3)-W(1) bond lengths are 2.85 Å. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent B(1) atoms. Both Mg(4)-B(1) bond lengths are 2.85 Å. W(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent B(1) atoms to form a mixture of face and corner-sharing WMg10B2 cuboctahedra. Both W(1)-B(1) bond lengths are 2.76 Å. B(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), and two equivalent W(1) atoms.