Materials Data on Ce3Mn(Al3Cu)8 by Materials Project
Ce3Mn(CuAl3)8 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Ce–Cu bond lengths are 3.45 Å. There are eight shorter (3.16 Å) and four longer (3.24 Å) Ce–Al bond lengths. Mn is bonded in a cuboctahedral geometry to twelve Al atoms. All Mn–Al bond lengths are 2.73 Å. Cu is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Al atoms. All Cu–Al bond lengths are 2.53 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Cu, and six Al atoms. There are four shorter (2.73 Å) and two longer (2.77 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Mn, and eight Al atoms. All Al–Al bond lengths are 2.73 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to one Ce, one Mn, and eight Al atoms. All Al–Al bond lengths are 2.73 Å.