CsMg6Sn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Mg(4), two equivalent Mg(1), and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), four equivalent Mg(1), and two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Sn(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms.
CsMg6Sn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 14-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sn(1) atoms. Both Cs(1)-Mg(3) bond lengths are 3.80 Å. Both Cs(1)-Mg(4) bond lengths are 3.69 Å. There are two shorter (3.43 Å) and two longer (3.53 Å) Cs(1)-Mg(1) bond lengths. All Cs(1)-Mg(2) bond lengths are 3.53 Å. Both Cs(1)-Sn(1) bond lengths are 4.07 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Sn(1) atom. The Mg(1)-Mg(1) bond length is 3.21 Å. Both Mg(1)-Mg(2) bond lengths are 3.49 Å. Both Mg(1)-Mg(3) bond lengths are 3.50 Å. Both Mg(1)-Mg(4) bond lengths are 3.08 Å. The Mg(1)-Sn(1) bond length is 3.18 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Mg(4), two equivalent Mg(1), and two equivalent Sn(1) atoms. The Mg(2)-Mg(4) bond length is 3.23 Å. Both Mg(2)-Sn(1) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), four equivalent Mg(1), and two equivalent Sn(1) atoms. Both Mg(3)-Sn(1) bond lengths are 3.18 Å. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Sn(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms.