Materials Data on K3UF3 by Materials Project
K3UF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a bent 120 degrees geometry to two F atoms. Both K–F bond lengths are 2.78 Å. In the second K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.69–2.79 Å. In the third K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–F bond lengths. U is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of U–F bond distances ranging from 2.21–2.25 Å. There are three inequivalent F sites. In the first F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra. In the second F site, F is bonded in a distorted T-shaped geometry to two K and one U atom. In the third F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra.
- 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:
- 1282894
- Report Number(s):
- mp-675943
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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