LiMg2Al crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent Li(1), two equivalent Mg(1), and four equivalent Al(1) atoms to form distorted LiLi2Mg2Al4 hexagonal bipyramids that share corners with two equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; corners with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with four equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with eight equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), six equivalent Mg(1), and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight equivalent Mg(1)LiMg6Al hexagonal bipyramids, edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids, edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids, and edges with twelve equivalent Mg(1)LiMg6Al hexagonal bipyramids. In the second Mg site, Mg(1) is bonded to one Li(1); six Mg(1,1); and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight Mg(1,1)LiMg6Al hexagonal bipyramids; edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. Al(1) is bonded to four equivalent Li(1); two Mg(1,1); and two equivalent Al(1) atoms to form distorted AlLi4Mg2Al2 hexagonal bipyramids that share corners with two equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; corners with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with four equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with eight equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids.
LiMg2Al crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent Li(1), two equivalent Mg(1), and four equivalent Al(1) atoms to form distorted LiLi2Mg2Al4 hexagonal bipyramids that share corners with two equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; corners with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with four equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with eight equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. Both Li(1)-Li(1) bond lengths are 2.90 Å. Both Li(1)-Mg(1) bond lengths are 2.98 Å. All Li(1)-Al(1) bond lengths are 2.98 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), six equivalent Mg(1), and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight equivalent Mg(1)LiMg6Al hexagonal bipyramids, edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids, edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids, and edges with twelve equivalent Mg(1)LiMg6Al hexagonal bipyramids. There are two shorter (2.90 Å) and four longer (2.98 Å) Mg(1)-Mg(1) bond lengths. The Mg(1)-Al(1) bond length is 2.93 Å. In the second Mg site, Mg(1) is bonded to one Li(1); six Mg(1,1); and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight Mg(1,1)LiMg6Al hexagonal bipyramids; edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. The Mg(1)-Li(1) bond length is 2.98 Å. There are two shorter (2.90 Å) and four longer (2.98 Å) Mg(1)-Mg(1,1) bond lengths. The Mg(1)-Al(1) bond length is 2.93 Å. Al(1) is bonded to four equivalent Li(1); two Mg(1,1); and two equivalent Al(1) atoms to form distorted AlLi4Mg2Al2 hexagonal bipyramids that share corners with two equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; corners with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with four equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with eight equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. Both Al(1)-Al(1) bond lengths are 2.90 Å.