CsMg6Zn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Zn(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Zn(1) atom. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(1) atoms. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms.
CsMg6Zn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Zn(1) atoms. Both Cs(1)-Mg(2) bond lengths are 4.19 Å. Both Cs(1)-Mg(3) bond lengths are 3.73 Å. All Cs(1)-Mg(1) bond lengths are 3.74 Å. Both Cs(1)-Zn(1) bond lengths are 3.73 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(3), two equivalent Mg(4), and one Zn(1) atom. The Mg(1)-Mg(1) bond length is 2.97 Å. Both Mg(1)-Mg(3) bond lengths are 3.07 Å. Both Mg(1)-Mg(4) bond lengths are 3.23 Å. The Mg(1)-Zn(1) bond length is 2.80 Å. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.28 Å. All Mg(2)-Mg(3) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms. Both Mg(3)-Zn(1) bond lengths are 2.82 Å. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Mg(2) and four equivalent Mg(1) atoms. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms.