Mg6ZnB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a distorted water-like geometry to two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Zn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Zn(1) and two equivalent B(1) atoms. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.
Mg6ZnB crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one B(1) atom. There is one shorter (3.05 Å) and one longer (3.08 Å) Mg(1)-Zn(1) bond length. The Mg(1)-B(1) bond length is 2.39 Å. In the second Mg site, Mg(2) is bonded in a distorted water-like geometry to two equivalent B(1) atoms. Both Mg(2)-B(1) bond lengths are 2.75 Å. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Zn(1) atoms. Both Mg(3)-Zn(1) bond lengths are 2.70 Å. In the fourth Mg site, Mg(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Zn(1) and two equivalent B(1) atoms. Both Mg(4)-Zn(1) bond lengths are 2.76 Å. Both Mg(4)-B(1) bond lengths are 2.57 Å. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms.