Mg6WFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Fe(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) 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 Fe(1) atoms. 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 W(1) atoms. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form a mixture of distorted corner and face-sharing WMg10Fe2 cuboctahedra. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms.
Mg6WFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Fe(1) atoms. There is one shorter (2.78 Å) and one longer (3.07 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.08 Å) and one longer (3.11 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 2.91 Å. Both Mg(1)-Mg(4) bond lengths are 2.96 Å. Both Mg(1)-W(1) bond lengths are 2.98 Å. There is one shorter (2.78 Å) and one longer (3.41 Å) Mg(1)-Fe(1) bond length. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms. Both Mg(2)-Mg(4) bond lengths are 2.89 Å. All Mg(2)-Mg(3) bond lengths are 2.98 Å. Both Mg(2)-Fe(1) bond lengths are 2.94 Å. In the third Mg site, Mg(3) 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 Fe(1) atoms. There is one shorter (2.83 Å) and one longer (3.02 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.05 Å) and one longer (3.14 Å) Mg(3)-Mg(4) bond length. There is one shorter (2.89 Å) and one longer (3.30 Å) Mg(3)-W(1) bond length. Both Mg(3)-Fe(1) bond lengths are 3.04 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 W(1) atoms. Both Mg(4)-W(1) bond lengths are 2.93 Å. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form a mixture of distorted corner and face-sharing WMg10Fe2 cuboctahedra. Both W(1)-Fe(1) bond lengths are 2.63 Å. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms.