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Title: Materials Data on La5Pb3I by Materials Project

Abstract

La5Pb3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent I atoms. There are a spread of La–Pb bond distances ranging from 3.35–3.76 Å. Both La–I bond lengths are 3.26 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.56 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.

Publication Date:
Other Number(s):
mp-31288
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; La5Pb3I; I-La-Pb
OSTI Identifier:
1205562
DOI:
10.17188/1205562

Citation Formats

The Materials Project. Materials Data on La5Pb3I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205562.
The Materials Project. Materials Data on La5Pb3I by Materials Project. United States. doi:10.17188/1205562.
The Materials Project. 2020. "Materials Data on La5Pb3I by Materials Project". United States. doi:10.17188/1205562. https://www.osti.gov/servlets/purl/1205562. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1205562,
title = {Materials Data on La5Pb3I by Materials Project},
author = {The Materials Project},
abstractNote = {La5Pb3I crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent I atoms. There are a spread of La–Pb bond distances ranging from 3.35–3.76 Å. Both La–I bond lengths are 3.26 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.56 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. I is bonded to six equivalent La atoms to form face-sharing ILa6 octahedra.},
doi = {10.17188/1205562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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