Mg14YTi crystallizes in the hexagonal P-6m2 space group. 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 Mg(3,3); and two equivalent Y(1) atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Y2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(1)Y2Mg10 cuboctahedra; edges with eight Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Y2Mg10 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Y(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with eight equivalent Mg(1)Y2Mg10 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Y2Mg10 cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Ti2 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. In the third Mg site, Mg(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Y(1) atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Y2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with eight equivalent Mg(3)YMg10Ti cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four Mg(1,1)Y2Mg10 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Y(1); and one Ti(1) atom to form distorted MgYMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)YMg10Ti cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with four Mg(3,3)YMg10Ti cuboctahedra;  a faceface with one Y(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with five Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four equivalent Mg(3); one Y(1); and one Ti(1) atom to form distorted MgYMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)YMg10Ti cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with four equivalent Mg(3)YMg10Ti cuboctahedra;  a faceface with one Y(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with five Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(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)YMg10Ti cuboctahedra; edges with six equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with six Mg(1,1)Y2Mg10 cuboctahedra; edges with six Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with three Mg(1,1)Y2Mg10 cuboctahedra; faces with three equivalent Y(1)Mg12 cuboctahedra; faces with three equivalent Ti(1)Mg12 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. Y(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form YMg12 cuboctahedra that share corners with six equivalent Y(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with six Mg(1,1)Y2Mg10 cuboctahedra; edges with twelve Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; faces with six Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. Ti(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form TiMg12 cuboctahedra that share corners with six equivalent Ti(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Y2Mg10 cuboctahedra; edges with six equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with twelve Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra.
Mg14YTi crystallizes in the hexagonal P-6m2 space group. 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 Mg(3,3); and two equivalent Y(1) atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Y2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(1)Y2Mg10 cuboctahedra; edges with eight Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four equivalent Mg(1)Y2Mg10 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.17 Å. There are two shorter (3.16 Å) and two longer (3.32 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3,3) bond lengths are 3.22 Å. Both Mg(1)-Y(1) bond lengths are 3.24 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Y(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra; corners with eight equivalent Mg(1)Y2Mg10 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Y2Mg10 cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Ti2 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.20 Å. There are two shorter (3.23 Å) and two longer (3.25 Å) Mg(2)-Mg(2) bond lengths. All Mg(2)-Mg(3,3) bond lengths are 3.11 Å. Both Mg(2)-Ti(1) bond lengths are 3.24 Å. In the third Mg site, Mg(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Y(1) atoms to form MgY2Mg10 cuboctahedra that share corners with four equivalent Ti(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Y2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with eight equivalent Mg(3)YMg10Ti cuboctahedra; faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with four Mg(1,1)Y2Mg10 cuboctahedra; and faces with ten Mg(3,3)YMg10Ti cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.17 Å. There is one shorter (3.16 Å) and one longer (3.32 Å) Mg(1)-Mg(1) bond length. All Mg(1)-Mg(3) bond lengths are 3.22 Å. Both Mg(1)-Y(1) bond lengths are 3.24 Å. In the fourth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); one Y(1); and one Ti(1) atom to form distorted MgYMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)YMg10Ti cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with four Mg(3,3)YMg10Ti cuboctahedra;  a faceface with one Y(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with five Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.24 Å. There are two shorter (3.23 Å) and two longer (3.26 Å) Mg(3)-Mg(3,3) bond lengths. The Mg(3)-Y(1) bond length is 3.22 Å. The Mg(3)-Ti(1) bond length is 3.10 Å. In the fifth Mg site, Mg(3) is bonded to two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four equivalent Mg(3); one Y(1); and one Ti(1) atom to form distorted MgYMg10Ti cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)YMg10Ti cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Y(1)Mg12 cuboctahedra; edges with two equivalent Ti(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with four Mg(1,1)Y2Mg10 cuboctahedra; edges with four equivalent Mg(3)YMg10Ti cuboctahedra;  a faceface with one Y(1)Mg12 cuboctahedra;  a faceface with one Ti(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with five Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. The Mg(3)-Mg(1) bond length is 3.22 Å. Both Mg(3)-Mg(4) bond lengths are 3.24 Å. The Mg(3)-Y(1) bond length is 3.22 Å. The Mg(3)-Ti(1) bond length is 3.10 Å. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(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)YMg10Ti cuboctahedra; edges with six equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with six Mg(1,1)Y2Mg10 cuboctahedra; edges with six Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with three Mg(1,1)Y2Mg10 cuboctahedra; faces with three equivalent Y(1)Mg12 cuboctahedra; faces with three equivalent Ti(1)Mg12 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. Y(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form YMg12 cuboctahedra that share corners with six equivalent Y(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with six Mg(1,1)Y2Mg10 cuboctahedra; edges with twelve Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Ti(1)Mg12 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; faces with six Mg(1,1)Y2Mg10 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra. Ti(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form TiMg12 cuboctahedra that share corners with six equivalent Ti(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Y2Mg10 cuboctahedra; edges with six equivalent Mg(2)Mg10Ti2 cuboctahedra; edges with twelve Mg(3,3)YMg10Ti cuboctahedra; faces with two equivalent Y(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; and faces with six Mg(3,3)YMg10Ti cuboctahedra.