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Title: Materials Data on Cs3NaPb4 by Materials Project

Abstract

Cs3NaPb4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to seven Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.90–4.30 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Cs–Pb bond distances ranging from 4.28–4.40 Å. Na is bonded in a distorted hexagonal planar geometry to six Pb atoms. There are two shorter (3.33 Å) and four longer (3.40 Å) Na–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to five Cs, two equivalent Na, and three Pb atoms. There are two shorter (3.17 Å) and one longer (3.33 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a 10-coordinate geometry to six Cs, one Na, and three Pb atoms. The Pb–Pb bond length is 3.08 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-630851
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; Cs3NaPb4; Cs-Na-Pb
OSTI Identifier:
1279000
DOI:
10.17188/1279000

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs3NaPb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279000.
Persson, Kristin, & Project, Materials. Materials Data on Cs3NaPb4 by Materials Project. United States. doi:10.17188/1279000.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs3NaPb4 by Materials Project". United States. doi:10.17188/1279000. https://www.osti.gov/servlets/purl/1279000. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279000,
title = {Materials Data on Cs3NaPb4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs3NaPb4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to seven Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.90–4.30 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Cs–Pb bond distances ranging from 4.28–4.40 Å. Na is bonded in a distorted hexagonal planar geometry to six Pb atoms. There are two shorter (3.33 Å) and four longer (3.40 Å) Na–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to five Cs, two equivalent Na, and three Pb atoms. There are two shorter (3.17 Å) and one longer (3.33 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a 10-coordinate geometry to six Cs, one Na, and three Pb atoms. The Pb–Pb bond length is 3.08 Å.},
doi = {10.17188/1279000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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