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Title: Materials Data on Zr5ZnPb3 by Materials Project

Abstract

Zr5ZnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to two equivalent Zn and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing ZrZn2Pb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.79 Å. There are a spread of Zr–Pb bond distances ranging from 3.01–3.15 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696132
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; Zr5ZnPb3; Pb-Zn-Zr
OSTI Identifier:
1284958
DOI:
10.17188/1284958

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zr5ZnPb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284958.
Persson, Kristin, & Project, Materials. Materials Data on Zr5ZnPb3 by Materials Project. United States. doi:10.17188/1284958.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zr5ZnPb3 by Materials Project". United States. doi:10.17188/1284958. https://www.osti.gov/servlets/purl/1284958. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284958,
title = {Materials Data on Zr5ZnPb3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zr5ZnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to two equivalent Zn and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing ZrZn2Pb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.79 Å. There are a spread of Zr–Pb bond distances ranging from 3.01–3.15 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1284958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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