Materials Data on CeMg6Zn by Materials Project
Mg6CeZn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Zn atoms. There are a spread of Mg–Mg bond distances ranging from 3.15–3.29 Å. There are one shorter (3.32 Å) and one longer (3.35 Å) Mg–Ce bond lengths. There are one shorter (3.24 Å) and one longer (3.44 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ce, and two equivalent Zn atoms. There are a spread of Mg–Mg bond distances ranging from 3.08–3.44 Å. Both Mg–Ce bond lengths are 3.23 Å. Both Mg–Zn bond lengths are 3.13 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with ten MgMg10Zn2 cuboctahedra, edges with two equivalent MgCe2Mg10 cuboctahedra, faces with four MgMg10Zn2 cuboctahedra, and faces with six equivalent CeMg10Zn2 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. Both Mg–Zn bond lengths are 3.23 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form distorted MgCe2Mg10 cuboctahedra that share corners with ten MgMg10Zn2 cuboctahedra, edges with two equivalent MgMg10Zn2 cuboctahedra, edges with four equivalent CeMg10Zn2 cuboctahedra, faces with two equivalent CeMg10Zn2 cuboctahedra, and faces with four MgMg10Zn2 cuboctahedra. Both Mg–Ce bond lengths are 3.23 Å. Ce is bonded to ten Mg and two equivalent Zn atoms to form CeMg10Zn2 cuboctahedra that share corners with six equivalent CeMg10Zn2 cuboctahedra, edges with four equivalent MgCe2Mg10 cuboctahedra, faces with two equivalent CeMg10Zn2 cuboctahedra, and faces with eight MgMg10Zn2 cuboctahedra. Both Ce–Zn bond lengths are 3.23 Å. Zn is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ce atoms.