CsLiMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of corner and face-sharing CsLi2Mg10 cuboctahedra. Li(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent Cs(1), two equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.
CsLiMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of corner and face-sharing CsLi2Mg10 cuboctahedra. Both Cs(1)-Li(1) bond lengths are 3.30 Å. Both Cs(1)-Mg(4) bond lengths are 3.54 Å. There are two shorter (3.48 Å) and two longer (3.54 Å) Cs(1)-Mg(1) bond lengths. All Cs(1)-Mg(2) bond lengths are 3.51 Å. Li(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(2) atoms. Both Li(1)-Mg(3) bond lengths are 3.44 Å. All Li(1)-Mg(2) bond lengths are 3.37 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. Both Mg(1)-Mg(2) bond lengths are 3.38 Å. Both Mg(1)-Mg(3) bond lengths are 3.41 Å. Both Mg(1)-Mg(4) bond lengths are 3.34 Å. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent Cs(1), two equivalent Li(1), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms. The Mg(2)-Mg(4) bond length is 3.18 Å. There is one shorter (3.04 Å) and one longer (3.55 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.49 Å) and one longer (3.54 Å) Mg(2)-Mg(3) bond length. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms. Both Mg(3)-Mg(4) bond lengths are 3.30 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms.