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Title: Materials Data on Au3F8 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192493· OSTI ID:1192493

Au3F8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au+2.67+ sites. In the first Au+2.67+ site, Au+2.67+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.95–2.02 Å. In the second Au+2.67+ site, Au+2.67+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Au–F bond distances ranging from 2.15–2.78 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Au+2.67+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two Au+2.67+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Au+2.67+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au+2.67+ 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:
1192493
Report Number(s):
mp-17407
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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