LiMg14Ti crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with six Mg(2,2)Li2Mg10 cuboctahedra; edges with twelve Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with six Mg(2,2)Li2Mg10 cuboctahedra; faces with six Mg(3,3)LiMg10Ti cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra; corners with eight equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Ti cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four equivalent Mg(2)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four Mg(2,2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four Mg(2,2)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. In the fourth Mg site, Mg(3) is bonded to one Li(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); and one Ti(1) atom to form distorted MgLiMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Ti cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four Mg(2,2)Li2Mg10 cuboctahedra; edges with four Mg(3,3)LiMg10Ti cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(2,2)Li2Mg10 cuboctahedra; faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. In the fifth Mg site, Mg(3) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Ti(1) atom to form distorted MgLiMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Ti cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)LiMg10Ti cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(2,2)Li2Mg10 cuboctahedra; faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)LiMg10Ti cuboctahedra; edges with six Mg(2,2)Li2Mg10 cuboctahedra; edges with six Mg(3,3)LiMg10Ti cuboctahedra; edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Li(1)Mg12 cuboctahedra; faces with three Mg(2,2)Li2Mg10 cuboctahedra; faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with three equivalent Ti(1)Mg12 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. Ti(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form TiMg12 cuboctahedra that share corners with six equivalent Ti(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Li2Mg10 cuboctahedra; edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with twelve Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with six Mg(3,3)LiMg10Ti cuboctahedra; faces with six equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.
LiMg14Ti crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with six Mg(2,2)Li2Mg10 cuboctahedra; edges with twelve Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with six Mg(2,2)Li2Mg10 cuboctahedra; faces with six Mg(3,3)LiMg10Ti cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. All Li(1)-Mg(2,2) bond lengths are 3.18 Å. All Li(1)-Mg(3,3) bond lengths are 3.10 Å. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Ti2 cuboctahedra; corners with eight equivalent Mg(2)Li2Mg10 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Ti cuboctahedra; faces with two equivalent Mg(2)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.12 Å. There are two shorter (3.15 Å) and two longer (3.22 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3) bond lengths are 3.11 Å. Both Mg(1)-Ti(1) bond lengths are 3.18 Å. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four equivalent Mg(2)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.13 Å. There are two shorter (3.17 Å) and two longer (3.20 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3) bond lengths are 3.14 Å. In the third Mg site, Mg(2) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four Mg(2,2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four Mg(2,2)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Ti cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.13 Å. There is one shorter (3.17 Å) and one longer (3.20 Å) Mg(2)-Mg(2) bond length. All Mg(2)-Mg(3,3) bond lengths are 3.14 Å. In the fourth Mg site, Mg(3) is bonded to one Li(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); and one Ti(1) atom to form distorted MgLiMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Ti cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four Mg(2,2)Li2Mg10 cuboctahedra; edges with four Mg(3,3)LiMg10Ti cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(2,2)Li2Mg10 cuboctahedra; faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.18 Å. There are two shorter (3.12 Å) and two longer (3.25 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Ti(1) bond length is 3.08 Å. In the fifth Mg site, Mg(3) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Ti(1) atom to form distorted MgLiMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Ti cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)LiMg10Ti cuboctahedra; edges with four equivalent Mg(1)Mg10Ti2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(2,2)Li2Mg10 cuboctahedra; faces with five equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. Both Mg(3)-Mg(1) bond lengths are 3.11 Å. Both Mg(3)-Mg(4) bond lengths are 3.18 Å. The Mg(3)-Ti(1) bond length is 3.08 Å. In the sixth Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)LiMg10Ti cuboctahedra; edges with six Mg(2,2)Li2Mg10 cuboctahedra; edges with six Mg(3,3)LiMg10Ti cuboctahedra; edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Li(1)Mg12 cuboctahedra; faces with three Mg(2,2)Li2Mg10 cuboctahedra; faces with three equivalent Mg(1)Mg10Ti2 cuboctahedra; faces with three equivalent Ti(1)Mg12 cuboctahedra; and faces with six Mg(3,3)LiMg10Ti cuboctahedra. Ti(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form TiMg12 cuboctahedra that share corners with six equivalent Ti(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)Li2Mg10 cuboctahedra; edges with six equivalent Mg(1)Mg10Ti2 cuboctahedra; edges with twelve Mg(3,3)LiMg10Ti cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with six Mg(3,3)LiMg10Ti cuboctahedra; faces with six equivalent Mg(1)Mg10Ti2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra.