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Title: Materials Data on KU2F9 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281600· OSTI ID:1281600

KU2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.63–3.11 Å. U4+ is bonded to seven F1- atoms to form a mixture of distorted edge and corner-sharing UF7 pentagonal bipyramids. There are a spread of U–F bond distances ranging from 2.09–2.44 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one U4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one U4+ atom.

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:
1281600
Report Number(s):
mp-669376
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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