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Title: Materials Data on ZrPbF6 by Materials Project

Abstract

PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-7310
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; ZrPbF6; F-Pb-Zr
OSTI Identifier:
1287670
DOI:
10.17188/1287670

Citation Formats

The Materials Project. Materials Data on ZrPbF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287670.
The Materials Project. Materials Data on ZrPbF6 by Materials Project. United States. doi:10.17188/1287670.
The Materials Project. 2020. "Materials Data on ZrPbF6 by Materials Project". United States. doi:10.17188/1287670. https://www.osti.gov/servlets/purl/1287670. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287670,
title = {Materials Data on ZrPbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {PbZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Zr4+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Zr4+ and one Pb2+ atom.},
doi = {10.17188/1287670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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Works referencing / citing this record:

Existence of semi-Dirac cones and symmetry of two-dimensional materials
journal, March 2017