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Title: Materials Data on AsPbF7 by Materials Project

Abstract

PbF(AsF6) crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pb2+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.31–3.15 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom.

Publication Date:
Other Number(s):
mp-29992
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; AsPbF7; As-F-Pb
OSTI Identifier:
1204425
DOI:
https://doi.org/10.17188/1204425

Citation Formats

The Materials Project. Materials Data on AsPbF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204425.
The Materials Project. Materials Data on AsPbF7 by Materials Project. United States. doi:https://doi.org/10.17188/1204425
The Materials Project. 2020. "Materials Data on AsPbF7 by Materials Project". United States. doi:https://doi.org/10.17188/1204425. https://www.osti.gov/servlets/purl/1204425. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204425,
title = {Materials Data on AsPbF7 by Materials Project},
author = {The Materials Project},
abstractNote = {PbF(AsF6) crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pb2+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.31–3.15 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom.},
doi = {10.17188/1204425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}