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Title: Materials Data on AuF5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204529· OSTI ID:1204529

AuF5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuF5 clusters. Au5+ is bonded to six F1- atoms to form edge-sharing AuF6 octahedra. There are a spread of Au–F bond distances ranging from 1.91–2.07 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fifth F1- site, F1- is bonded in a water-like geometry to two equivalent Au5+ atoms. In the sixth F1- site, F1- is bonded in a water-like geometry to two equivalent Au5+ atoms.

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:
1204529
Report Number(s):
mp-30103
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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