LiMg2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Li(1) and ten Mg(1,1,1,1) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with eight Mg(1,1)Li5Mg7 cuboctahedra; edges with ten equivalent Li(1)Li2Mg10 cuboctahedra; faces with four equivalent Li(1)Li2Mg10 cuboctahedra; and faces with sixteen Mg(1,1,1,1)Li5Mg7 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra. In the second Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1,1)Li5Mg7 cuboctahedra. In the third Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra. In the fourth Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra.
LiMg2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent Li(1) and ten Mg(1,1,1,1) atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with eight Mg(1,1)Li5Mg7 cuboctahedra; edges with ten equivalent Li(1)Li2Mg10 cuboctahedra; faces with four equivalent Li(1)Li2Mg10 cuboctahedra; and faces with sixteen Mg(1,1,1,1)Li5Mg7 cuboctahedra. Both Li(1)-Li(1) bond lengths are 3.14 Å. There are a spread of Li(1)-Mg(1,1,1,1) bond distances ranging from 3.08-3.13 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra. There are a spread of Mg(1)-Mg(1,1,1) bond distances ranging from 3.07-3.16 Å. In the second Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1,1)Li5Mg7 cuboctahedra. There are a spread of Mg(1)-Mg(1,1,1) bond distances ranging from 3.07-3.14 Å. In the third Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra. The Mg(1)-Mg(1) bond length is 3.16 Å. In the fourth Mg site, Mg(1) is bonded to five equivalent Li(1) and seven Mg(1,1,1) atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent Li(1)Li2Mg10 cuboctahedra; corners with twelve Mg(1,1,1)Li5Mg7 cuboctahedra; edges with four equivalent Li(1)Li2Mg10 cuboctahedra; edges with fourteen Mg(1,1,1)Li5Mg7 cuboctahedra; faces with eight equivalent Li(1)Li2Mg10 cuboctahedra; and faces with twelve Mg(1,1,1)Li5Mg7 cuboctahedra.