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Title: Materials Data on BiF5 by Materials Project

Abstract

BiF4BiF6 is alpha structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BiF4 cluster and one BiF6 cluster. In the BiF4 cluster, Bi5+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 1.68–2.15 Å. There are four 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 BiF6 cluster, Bi5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.21–2.33 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in amore » single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.« less

Publication Date:
Other Number(s):
mvc-15798
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BiF5; Bi-F
OSTI Identifier:
1319538
DOI:
10.17188/1319538

Citation Formats

The Materials Project. Materials Data on BiF5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1319538.
The Materials Project. Materials Data on BiF5 by Materials Project. United States. doi:10.17188/1319538.
The Materials Project. 2014. "Materials Data on BiF5 by Materials Project". United States. doi:10.17188/1319538. https://www.osti.gov/servlets/purl/1319538. Pub date:Thu Feb 06 00:00:00 EST 2014
@article{osti_1319538,
title = {Materials Data on BiF5 by Materials Project},
author = {The Materials Project},
abstractNote = {BiF4BiF6 is alpha structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BiF4 cluster and one BiF6 cluster. In the BiF4 cluster, Bi5+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 1.68–2.15 Å. There are four 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 BiF6 cluster, Bi5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.21–2.33 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted 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 distorted single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.},
doi = {10.17188/1319538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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