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Title: Materials Data on La5Pb4 by Materials Project

Abstract

La5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing LaPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of La–Pb bond distances ranging from 3.26–3.47 Å. In the second La site, La is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of La–Pb bond distances ranging from 3.36–4.10 Å. In the third La site, La is bonded to six Pb atoms to form a mixture of corner and face-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of La–Pb bond distances ranging from 3.33–3.50 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. The Pb–Pb bond length is 3.21 Å. In the second Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. In the third Pb site, Pb is bonded in a 7-coordinate geometry to eight La atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-21691
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; La5Pb4; La-Pb
OSTI Identifier:
1197118
DOI:
10.17188/1197118

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La5Pb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197118.
Persson, Kristin, & Project, Materials. Materials Data on La5Pb4 by Materials Project. United States. doi:10.17188/1197118.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La5Pb4 by Materials Project". United States. doi:10.17188/1197118. https://www.osti.gov/servlets/purl/1197118. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197118,
title = {Materials Data on La5Pb4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing LaPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of La–Pb bond distances ranging from 3.26–3.47 Å. In the second La site, La is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of La–Pb bond distances ranging from 3.36–4.10 Å. In the third La site, La is bonded to six Pb atoms to form a mixture of corner and face-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of La–Pb bond distances ranging from 3.33–3.50 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. The Pb–Pb bond length is 3.21 Å. In the second Pb site, Pb is bonded in a 9-coordinate geometry to eight La and one Pb atom. In the third Pb site, Pb is bonded in a 7-coordinate geometry to eight La atoms.},
doi = {10.17188/1197118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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