Mg7Zr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg10Zr2 cuboctahedra; edges with two equivalent Zr(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(3)Mg12 cuboctahedra; edges with eight equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; and faces with ten Mg(2,2)Mg10Zr2 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg10Zr2 cuboctahedra; edges with two equivalent Zr(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(3)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; and faces with ten Mg(2,2)Mg10Zr2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra; corners with fourteen Mg(2,2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Zr2 cuboctahedra; edges with four equivalent Zr(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with ten Mg(1,1)Mg10Zr2 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra; corners with fourteen Mg(2,2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Zr(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with ten Mg(1,1)Mg10Zr2 cuboctahedra. In the fifth Mg site, Mg(3) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg10Zr2 cuboctahedra; edges with six Mg(2,2)Mg10Zr2 cuboctahedra; edges with twelve Mg(1,1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with six equivalent Zr(1)Mg12 cuboctahedra. Zr(1) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form ZrMg12 cuboctahedra that share corners with six equivalent Zr(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg10Zr2 cuboctahedra; edges with six Mg(1,1)Mg10Zr2 cuboctahedra; edges with twelve Mg(2,2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with six equivalent Mg(3)Mg12 cuboctahedra.
Mg7Zr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg10Zr2 cuboctahedra; edges with two equivalent Zr(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(3)Mg12 cuboctahedra; edges with eight equivalent Mg(2)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; and faces with ten Mg(2,2)Mg10Zr2 cuboctahedra. Both Mg(1)-Mg(3) bond lengths are 3.15 Å. There are two shorter (3.19 Å) and two longer (3.24 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(2) bond lengths are 3.14 Å. Both Mg(1)-Zr(1) bond lengths are 3.22 Å. In the second Mg site, Mg(1) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg10Zr2 cuboctahedra; edges with two equivalent Zr(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg10Zr2 cuboctahedra; edges with four equivalent Mg(3)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; and faces with ten Mg(2,2)Mg10Zr2 cuboctahedra. Both Mg(1)-Mg(3) bond lengths are 3.15 Å. There is one shorter (3.19 Å) and one longer (3.24 Å) Mg(1)-Mg(1) bond length. All Mg(1)-Mg(2,2) bond lengths are 3.14 Å. Both Mg(1)-Zr(1) bond lengths are 3.22 Å. In the third Mg site, Mg(2) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra; corners with fourteen Mg(2,2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Mg12 cuboctahedra; edges with four Mg(2,2)Mg10Zr2 cuboctahedra; edges with four equivalent Zr(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with ten Mg(1,1)Mg10Zr2 cuboctahedra. Both Mg(2)-Mg(3) bond lengths are 3.22 Å. There are two shorter (3.17 Å) and two longer (3.26 Å) Mg(2)-Mg(2,2) bond lengths. Both Mg(2)-Zr(1) bond lengths are 3.12 Å. In the fourth Mg site, Mg(2) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Zr(1) atoms to form MgMg10Zr2 cuboctahedra that share corners with four equivalent Mg(3)Mg12 cuboctahedra; corners with fourteen Mg(2,2)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Zr2 cuboctahedra; edges with four equivalent Zr(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with ten Mg(1,1)Mg10Zr2 cuboctahedra. Both Mg(2)-Mg(3) bond lengths are 3.22 Å. Both Mg(2)-Zr(1) bond lengths are 3.12 Å. In the fifth Mg site, Mg(3) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg12 cuboctahedra; corners with twelve Mg(2,2)Mg10Zr2 cuboctahedra; edges with six Mg(2,2)Mg10Zr2 cuboctahedra; edges with twelve Mg(1,1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with six equivalent Zr(1)Mg12 cuboctahedra. Zr(1) is bonded to six Mg(1,1) and six Mg(2,2) atoms to form ZrMg12 cuboctahedra that share corners with six equivalent Zr(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg10Zr2 cuboctahedra; edges with six Mg(1,1)Mg10Zr2 cuboctahedra; edges with twelve Mg(2,2)Mg10Zr2 cuboctahedra; faces with two equivalent Zr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg10Zr2 cuboctahedra; faces with six Mg(2,2)Mg10Zr2 cuboctahedra; and faces with six equivalent Mg(3)Mg12 cuboctahedra.