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Materials Data on WF5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1319586· OSTI ID:1319586
WF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two WF5 sheets oriented in the (0, 0, 1) direction. W5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing WF8 hexagonal bipyramids. There are a spread of W–F bond distances ranging from 1.91–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent W5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent W5+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1319586
Report Number(s):
mvc-15907
Country of Publication:
United States
Language:
English

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