Materials Data on U(AlFe2)4 by Materials Project
UFe8Al4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Al atoms. There are eight shorter (3.08 Å) and eight longer (3.24 Å) U–Fe bond lengths. All U–Al bond lengths are 2.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent U, six Fe, and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Al4Fe6 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.45 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent U, six Fe, and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Al4Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.72 Å. There are two shorter (2.62 Å) and two longer (2.66 Å) Fe–Al bond lengths. Al is bonded in a 10-coordinate geometry to one U, eight Fe, and one Al atom. The Al–Al bond length is 2.59 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1722250
- Report Number(s):
- mp-1103635
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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