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Title: Materials Data on BiF5 by Materials Project

Abstract

BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-3518
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BiF5; Bi-F
OSTI Identifier:
1320604
DOI:
https://doi.org/10.17188/1320604

Citation Formats

The Materials Project. Materials Data on BiF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320604.
The Materials Project. Materials Data on BiF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320604
The Materials Project. 2020. "Materials Data on BiF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320604. https://www.osti.gov/servlets/purl/1320604. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320604,
title = {Materials Data on BiF5 by Materials Project},
author = {The Materials Project},
abstractNote = {BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.},
doi = {10.17188/1320604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}