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LiMg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two LiMg2 sheets oriented in the (1, 0, 0) direction. Li is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are four shorter (2.95 Å) and four longer (2.96 Å) Li–Mg bond lengths. Mg is bonded in a 8-coordinate geometry to four equivalent Li atoms.
LiMg2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one LiMg2 sheet oriented in the (0, 0, 1) direction. Li is bonded in a 9-coordinate geometry to two equivalent Li and seven Mg atoms. Both Li–Li bond lengths are 2.82 Å. There are a spread of Li–Mg bond distances ranging from 2.95–3.28 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Li atoms. In the second Mg site, Mg is bonded in a 2-coordinate geometry to three equivalent Li atoms.
LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with eight equivalent LiLi2Mg10 cuboctahedra, edges with ten MgLi4Mg8 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen MgLi4Mg8 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.11–3.14 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form MgLi4Mg8 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with three equivalent LiLi2Mg10 cuboctahedra, edges with fifteen MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi2Mg10 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.14 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to six equivalent Li and six Mg atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with seven equivalent LiLi2Mg10 cuboctahedra, edges with eleven equivalent MgLi4Mg8 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen MgLi4Mg8 cuboctahedra. There are two shorter (3.11 Å) and two longer (3.14 Å) Mg–Mg bond lengths.
LiMg2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to six equivalent Mg atoms to form distorted LiMg6 cuboctahedra that share corners with twenty-four equivalent MgLi3Mg9 cuboctahedra, edges with six equivalent LiMg6 cuboctahedra, edges with twelve equivalent MgLi3Mg9 cuboctahedra, and faces with two equivalent MgLi3Mg9 cuboctahedra. All Li–Mg bond lengths are 3.06 Å. Mg is bonded to three equivalent Li and nine equivalent Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with twelve equivalent LiMg6 cuboctahedra, corners with twelve equivalent MgLi3Mg9 cuboctahedra, edges with six equivalent LiMg6 cuboctahedra, edges with twelve equivalent MgLi3Mg9 cuboctahedra, a faceface with one LiMg6 cuboctahedra, and faces with thirteen equivalent MgLi3Mg9 cuboctahedra. There are three shorter (3.13 Å) and six longer (3.19 Å) Mg–Mg bond lengths.
LiMg2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to three equivalent Li and nine Mg atoms to form distorted LiLi3Mg9 cuboctahedra that share corners with nine equivalent LiLi3Mg9 cuboctahedra, corners with nine equivalent MgLi6Mg6 cuboctahedra, edges with six equivalent LiLi3Mg9 cuboctahedra, edges with twelve MgLi4Mg8 cuboctahedra, faces with five equivalent LiLi3Mg9 cuboctahedra, and faces with fifteen MgLi4Mg8 cuboctahedra. All Li–Li bond lengths are 3.16 Å. There are six shorter (3.08 Å) and three longer (3.16 Å) Li–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with eighteen MgLi4Mg8 cuboctahedra, edges with eight equivalent LiLi3Mg9 cuboctahedra, edges with ten MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi3Mg9 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.19 Å. In the second Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with eighteen equivalent MgLi4Mg8 cuboctahedra, edges with eight equivalent LiLi3Mg9 cuboctahedra, edges with ten MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi3Mg9 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å. In the third Mg site, Mg is bonded to six equivalent Li and six Mg atoms to form MgLi6Mg6 cuboctahedra that share corners with eighteen equivalent LiLi3Mg9 cuboctahedra, edges with eighteen MgLi4Mg8 cuboctahedra, faces with six equivalent LiLi3Mg9 cuboctahedra, and faces with fourteen MgLi4Mg8 cuboctahedra.
LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten equivalent Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with eighteen equivalent MgLi5Mg7 cuboctahedra, edges with eight equivalent MgLi5Mg7 cuboctahedra, edges with ten equivalent LiLi2Mg10 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen equivalent MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.08–3.16 Å. Mg is bonded to five equivalent Li and seven equivalent Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with nine equivalent LiLi2Mg10 cuboctahedra, corners with nine equivalent MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen equivalent MgLi5Mg7 cuboctahedra, faces with seven equivalent LiLi2Mg10 cuboctahedra, and faces with thirteen equivalent MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å.
LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to six equivalent Li and six Mg atoms to form distorted LiLi6Mg6 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with four equivalent LiLi6Mg6 cuboctahedra, edges with fourteen MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi6Mg6 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.15 Å) Li–Li bond lengths. There are four shorter (3.12 Å) and two longer (3.14 Å) Li–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with three equivalent LiLi6Mg6 cuboctahedra, edges with fifteen MgLi4Mg8 cuboctahedra, faces with eight equivalent LiLi6Mg6 cuboctahedra, and faces with twelve MgLi4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.21 Å. In the second Mg site, Mg is bonded to two equivalent Li and ten Mg atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent LiLi6Mg6 cuboctahedra, corners with twelve MgLi4Mg8 cuboctahedra, edges with seven equivalent MgLi4Mg8 cuboctahedra, edges with eleven equivalent LiLi6Mg6 cuboctahedra, faces with four equivalent LiLi6Mg6 cuboctahedra, and faces with sixteen MgLi4Mg8 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.18 Å) Mg–Mg bond lengths.
LiMg2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li is bonded to three equivalent Li and nine Mg atoms to form distorted LiLi3Mg9 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi3Mg9 cuboctahedra, edges with six equivalent LiLi3Mg9 cuboctahedra, edges with twelve equivalent MgLi4Mg8 cuboctahedra, faces with four equivalent LiLi3Mg9 cuboctahedra, and faces with sixteen MgLi6Mg6 cuboctahedra. All Li–Li bond lengths are 3.18 Å. There are a spread of Li–Mg bond distances ranging from 3.08–3.18 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Li and six equivalent Mg atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent MgLi6Mg6 cuboctahedra, corners with twelve equivalent LiLi3Mg9 cuboctahedra, edges with eighteen MgLi6Mg6 cuboctahedra, faces with eight equivalent LiLi3Mg9 cuboctahedra, and faces with twelve equivalent MgLi4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. In the second Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with eighteen equivalent MgLi4Mg8 cuboctahedra, edges with eight equivalent LiLi3Mg9 cuboctahedra, edges with ten MgLi6Mg6 cuboctahedra, faces with eight equivalent LiLi3Mg9 cuboctahedra, and faces with twelve MgLi6Mg6 cuboctahedra. There are two shorter (3.16 Å) and four longer (3.19 Å) Mg–Mg bond lengths.
LiMg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li is bonded to nine equivalent Li and three equivalent Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with six equivalent MgLi3Mg9 cuboctahedra, edges with twelve equivalent LiLi9Mg3 cuboctahedra, faces with eight MgMg12 cuboctahedra, and faces with twelve equivalent LiLi9Mg3 cuboctahedra. There are three shorter (3.09 Å) and six longer (3.20 Å) Li–Li bond lengths. All Li–Mg bond lengths are 3.09 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, a faceface with one LiLi9Mg3 cuboctahedra, and faces with nineteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.20 Å. In the second Mg site, Mg is bonded to three equivalent Li and nine Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve MgLi3Mg9 cuboctahedra, edges with six equivalent LiLi9Mg3 cuboctahedra, edges with twelve MgMg12 cuboctahedra, faces with seven equivalent LiLi9Mg3 cuboctahedra, and faces with thirteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.20 Å. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent LiLi9Mg3 cuboctahedra, corners with twelve MgLi3Mg9 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, a faceface with one LiLi9Mg3 cuboctahedra, and faces with nineteen MgMg12 cuboctahedra. There are three shorter (3.11 Å) and six longer (3.20 Å) Mg–Mg bond lengths.
LiMg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded to three equivalent Li and nine Mg atoms to form distorted LiLi3Mg9 cuboctahedra that share corners with six equivalent LiLi3Mg9 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi3Mg9 cuboctahedra, edges with fourteen MgLi5Mg7 cuboctahedra, faces with six equivalent LiLi3Mg9 cuboctahedra, and faces with fourteen MgLi5Mg7 cuboctahedra. There are one shorter (3.11 Å) and two longer (3.20 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.08–3.12 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to five equivalent Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent LiLi3Mg9 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with five equivalent LiLi3Mg9 cuboctahedra, edges with thirteen MgLi5Mg7 cuboctahedra, faces with eight equivalent LiLi3Mg9 cuboctahedra, and faces with twelve MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.20 Å. In the second Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent LiLi3Mg9 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with nine equivalent LiLi3Mg9 cuboctahedra, edges with nine MgLi5Mg7 cuboctahedra, faces with six equivalent LiLi3Mg9 cuboctahedra, and faces with fourteen MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.06–3.20 Å.
LiMg2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded to six Mg atoms to form distorted LiMg6 cuboctahedra that share corners with six equivalent LiMg6 cuboctahedra, corners with eighteen MgMg12 cuboctahedra, edges with six equivalent LiMg6 cuboctahedra, edges with twelve MgLi3Mg9 cuboctahedra, a faceface with one LiMg6 cuboctahedra, and a faceface with one MgMg12 cuboctahedra. There are three shorter (3.06 Å) and three longer (3.11 Å) Li–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, corners with twelve equivalent LiMg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent LiMg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.17 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Li and nine Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent LiMg6 cuboctahedra, corners with eighteen MgLi3Mg9 cuboctahedra, edges with six equivalent LiMg6 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å. In the third Mg site, Mg is bonded to six equivalent Li and six equivalent Mg atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with twelve equivalent LiMg6 cuboctahedra, corners with eighteen MgLi3Mg9 cuboctahedra, edges with six equivalent MgLi6Mg6 cuboctahedra, edges with twelve equivalent LiMg6 cuboctahedra, and faces with eight MgLi3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.17 Å.
LiMg2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with eight MgLi5Mg7 cuboctahedra, edges with ten equivalent LiLi2Mg10 cuboctahedra, faces with four equivalent LiLi2Mg10 cuboctahedra, and faces with sixteen MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.10 Å. There are a spread of Li–Mg bond distances ranging from 3.07–3.18 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five equivalent Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen MgLi5Mg7 cuboctahedra, faces with eight equivalent LiLi2Mg10 cuboctahedra, and faces with twelve MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.20 Å. In the second Mg site, Mg is bonded to five equivalent Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen MgLi5Mg7 cuboctahedra, faces with eight equivalent LiLi2Mg10 cuboctahedra, and faces with twelve MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.20 Å. In the third Mg site, Mg is bonded to five equivalent Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with six equivalent LiLi2Mg10 cuboctahedra, corners with twelve MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen MgLi5Mg7 cuboctahedra, faces with eight equivalent LiLi2Mg10 cuboctahedra, and faces with twelve MgLi5Mg7 cuboctahedra. There are two shorter (3.10 Å) and one longer (3.20 Å) Mg–Mg bond lengths.
LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Li and eight Mg atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent LiLi4Mg8 cuboctahedra, corners with twelve MgLi6Mg6 cuboctahedra, edges with eighteen MgLi6Mg6 cuboctahedra, faces with ten equivalent LiLi4Mg8 cuboctahedra, and faces with ten MgLi6Mg6 cuboctahedra. There are two shorter (3.12 Å) and two longer (3.13 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.11–3.14 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Li and six Mg atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with six equivalent LiLi4Mg8 cuboctahedra, corners with twelve MgLi6Mg6 cuboctahedra, edges with seven equivalent LiLi4Mg8 cuboctahedra, edges with eleven MgLi6Mg6 cuboctahedra, faces with six equivalent LiLi4Mg8 cuboctahedra, and faces with fourteen MgLi6Mg6 cuboctahedra. There are four shorter (3.13 Å) and two longer (3.21 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to two equivalent Li and ten Mg atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent LiLi4Mg8 cuboctahedra, corners with twelve MgLi6Mg6 cuboctahedra, edges with seven MgLi6Mg6 cuboctahedra, edges with eleven equivalent LiLi4Mg8 cuboctahedra, faces with four equivalent LiLi4Mg8 cuboctahedra, and faces with sixteen MgLi6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å.
LiMg2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four Li and eight Mg atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with three equivalent LiLi4Mg8 cuboctahedra, edges with fifteen MgLi4Mg8 cuboctahedra, faces with six LiLi4Mg8 cuboctahedra, and faces with fourteen MgLi2Mg10 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.18 Å) Li–Li bond lengths. There are six shorter (3.10 Å) and two longer (3.18 Å) Li–Mg bond lengths. In the second Li site, Li is bonded to four Li and eight Mg atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with three equivalent LiLi4Mg8 cuboctahedra, edges with fifteen MgLi2Mg10 cuboctahedra, faces with six LiLi4Mg8 cuboctahedra, and faces with fourteen MgLi2Mg10 cuboctahedra. Both Li–Li bond lengths are 3.15 Å. There are six shorter (3.10 Å) and two longer (3.19 Å) Li–Mg bond lengths. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Li and ten Mg atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with eighteen MgLi2Mg10 cuboctahedra, edges with eight equivalent LiLi4Mg8 cuboctahedra, edges with ten MgLi4Mg8 cuboctahedra, faces with eight LiLi4Mg8 cuboctahedra, and faces with twelve MgLi2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.22 Å. In the second Mg site, Mg is bonded to four equivalent Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with eighteen MgLi2Mg10 cuboctahedra, edges with six MgLi2Mg10 cuboctahedra, edges with twelve LiLi4Mg8 cuboctahedra, faces with six LiLi4Mg8 cuboctahedra, and faces with fourteen MgLi2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.16 Å. In the third Mg site, Mg is bonded to six Li and six Mg atoms to form distorted MgLi6Mg6 cuboctahedra that share corners with eighteen MgLi2Mg10 cuboctahedra, edges with four equivalent LiLi4Mg8 cuboctahedra, edges with fourteen MgLi2Mg10 cuboctahedra, faces with ten LiLi4Mg8 cuboctahedra, and faces with ten MgLi2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.15 Å. In the fourth Mg site, Mg is bonded to four Li and eight Mg atoms to form MgLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with six LiLi4Mg8 cuboctahedra, edges with twelve MgLi2Mg10 cuboctahedra, faces with four LiLi4Mg8 cuboctahedra, and faces with sixteen MgLi2Mg10 cuboctahedra. Both Mg–Mg bond lengths are 3.15 Å.
LiMg2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four Li and eight Mg atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with three equivalent LiLi4Mg8 cuboctahedra, edges with fifteen MgLi3Mg9 cuboctahedra, faces with five LiLi4Mg8 cuboctahedra, and faces with fifteen MgLi3Mg9 cuboctahedra. There are two shorter (3.14 Å) and two longer (3.19 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.09–3.15 Å. In the second Li site, Li is bonded to four Li and eight Mg atoms to form distorted LiLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with three equivalent LiLi4Mg8 cuboctahedra, edges with fifteen MgLi3Mg9 cuboctahedra, faces with five LiLi4Mg8 cuboctahedra, and faces with fifteen MgLi3Mg9 cuboctahedra. Both Li–Li bond lengths are 3.19 Å. There are a spread of Li–Mg bond distances ranging from 3.09–3.13 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to three Li and nine Mg atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with eighteen MgLi3Mg9 cuboctahedra, edges with eight MgLi5Mg7 cuboctahedra, edges with ten LiLi4Mg8 cuboctahedra, faces with seven LiLi4Mg8 cuboctahedra, and faces with thirteen MgLi3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.19 Å. In the second Mg site, Mg is bonded to five Li and seven Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with eighteen MgLi3Mg9 cuboctahedra, edges with eight LiLi4Mg8 cuboctahedra, edges with ten MgLi3Mg9 cuboctahedra, faces with eight LiLi4Mg8 cuboctahedra, and faces with twelve MgLi3Mg9 cuboctahedra. There are three shorter (3.13 Å) and two longer (3.19 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to four Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with eighteen MgLi3Mg9 cuboctahedra, edges with six LiLi4Mg8 cuboctahedra, edges with twelve MgLi3Mg9 cuboctahedra, faces with nine LiLi4Mg8 cuboctahedra, and faces with eleven MgLi3Mg9 cuboctahedra. There are two shorter (3.14 Å) and two longer (3.19 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded to four Li and eight Mg atoms to form distorted MgLi4Mg8 cuboctahedra that share corners with six equivalent MgLi4Mg8 cuboctahedra, corners with twelve LiLi4Mg8 cuboctahedra, edges with six LiLi4Mg8 cuboctahedra, edges with twelve MgLi3Mg9 cuboctahedra, faces with six LiLi4Mg8 cuboctahedra, and faces with fourteen MgLi3Mg9 cuboctahedra. Both Mg–Mg bond lengths are 3.19 Å.