LiMg14Ni crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form LiMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Li(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ni(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Ni(1)Li2Mg10 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)LiMg11 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ni(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Ni(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Li(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), and one Ni(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded to one Li(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms to form distorted MgLiMg11 cuboctahedra that share corners with six equivalent Mg(7)LiMg11 cuboctahedra, edges with two equivalent Li(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra,  a faceface with one Li(1)Mg10Ni2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Li2Mg10 cuboctahedra. Ni(1) is bonded to two equivalent Li(1), two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms to form distorted NiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ni(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(7)LiMg11 cuboctahedra.
LiMg14Ni crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms to form LiMg10Ni2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Li(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ni(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Ni(1)Li2Mg10 cuboctahedra. Both Li(1)-Mg(7) bond lengths are 3.07 Å. There are two shorter (3.02 Å) and two longer (3.26 Å) Li(1)-Mg(3) bond lengths. All Li(1)-Mg(5) bond lengths are 2.90 Å. Both Li(1)-Ni(1) bond lengths are 3.19 Å. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Ni(1)Li2Mg10 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)LiMg11 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.19 Å. Both Mg(1)-Mg(6) bond lengths are 3.12 Å. There are two shorter (3.12 Å) and two longer (3.16 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.17 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ni(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.04 Å. There are two shorter (3.09 Å) and two longer (3.20 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Ni(1) atoms. There is one shorter (3.15 Å) and one longer (3.24 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 3.01 Å. Both Mg(3)-Mg(6) bond lengths are 2.96 Å. Both Mg(3)-Mg(7) bond lengths are 3.04 Å. There is one shorter (3.02 Å) and one longer (3.27 Å) Mg(3)-Ni(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Li(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Li2Mg10 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. There is one shorter (3.16 Å) and one longer (3.23 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.24 Å. Both Mg(4)-Mg(6) bond lengths are 3.15 Å. Both Mg(4)-Mg(7) bond lengths are 3.04 Å. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Li(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), and one Ni(1) atom. There is one shorter (3.12 Å) and one longer (3.19 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Ni(1) bond length is 2.86 Å. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Ni(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.20 Å. The Mg(6)-Ni(1) bond length is 2.91 Å. In the seventh Mg site, Mg(7) is bonded to one Li(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms to form distorted MgLiMg11 cuboctahedra that share corners with six equivalent Mg(7)LiMg11 cuboctahedra, edges with two equivalent Li(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra,  a faceface with one Li(1)Mg10Ni2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(7)LiMg11 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Li2Mg10 cuboctahedra. Ni(1) is bonded to two equivalent Li(1), two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms to form distorted NiLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Ni(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Li(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(7)LiMg11 cuboctahedra.