Materials Data on CeFe5 by Materials Project
CeFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.89 Å) and twelve longer (3.22 Å) Ce–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Ce and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeCe4Fe8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Fe atoms.
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