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Title: Materials Data on ZrPb2F8 by Materials Project

Abstract

Pb2ZrF8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.07–2.24 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.47–2.96 Å. In the second Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.47–3.17 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Zr4+ and three Pb2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Zr4+ and three Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Zr4+ and three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and three Pb2+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Zr4+ and two Pb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-541593
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; ZrPb2F8; F-Pb-Zr
OSTI Identifier:
1265173
DOI:
https://doi.org/10.17188/1265173

Citation Formats

The Materials Project. Materials Data on ZrPb2F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1265173.
The Materials Project. Materials Data on ZrPb2F8 by Materials Project. United States. doi:https://doi.org/10.17188/1265173
The Materials Project. 2020. "Materials Data on ZrPb2F8 by Materials Project". United States. doi:https://doi.org/10.17188/1265173. https://www.osti.gov/servlets/purl/1265173. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1265173,
title = {Materials Data on ZrPb2F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2ZrF8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.07–2.24 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.47–2.96 Å. In the second Pb2+ site, Pb2+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.47–3.17 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Zr4+ and three Pb2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Zr4+ and three Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Zr4+ and three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and three Pb2+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Zr4+ and two Pb2+ atoms.},
doi = {10.17188/1265173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}