Materials Data on CeMnAl by Materials Project

CeMnAl is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ce, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.21 Å) and two longer (3.46 Å) Ce–Ce bond lengths. There are two shorter (3.05 Å) and four longer (3.24 Å) Ce–Mn bond lengths. There are four shorter (3.19 Å) and two longer (3.24 Å) Ce–Al bond lengths. Mn is bonded to six equivalent Ce, two equivalent Mn, and four equivalent Al atoms to form MnCe6Mn2Al4 cuboctahedra that share corners with eight equivalent AlCe6Mn4Al2 cuboctahedra, corners with ten equivalent MnCe6Mn2Al4 cuboctahedra, edges with six equivalent MnCe6Mn2Al4 cuboctahedra, faces with six equivalent MnCe6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlCe6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.76 Å. All Mn–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Ce, four equivalent Mn, and two equivalent Al atoms to form AlCe6Mn4Al2 cuboctahedra that share corners with eight equivalent MnCe6Mn2Al4 cuboctahedra, corners with ten equivalent AlCe6Mn4Al2 cuboctahedra, edges with six equivalent AlCe6Mn4Al2 cuboctahedra, faces with six equivalent AlCe6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnCe6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.74 Å.