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Title: Materials Data on La3InPb4 by Materials Project

Abstract

La3InPb4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to one In and seven Pb atoms. The La–In bond length is 3.36 Å. There are a spread of La–Pb bond distances ranging from 3.35–3.55 Å. In the second La site, La is bonded in a 8-coordinate geometry to two equivalent In and six Pb atoms. Both La–In bond lengths are 3.53 Å. There are a spread of La–Pb bond distances ranging from 3.36–3.55 Å. In the third La site, La is bonded in a 2-coordinate geometry to two equivalent In and eight Pb atoms. Both La–In bond lengths are 3.57 Å. There are a spread of La–Pb bond distances ranging from 3.14–3.57 Å. In is bonded in a 8-coordinate geometry to five La and three Pb atoms. There are two shorter (3.12 Å) and one longer (3.24 Å) In–Pb bond lengths. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded to six La atoms to form corner-sharing PbLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. In the second Pb site, Pb ismore » bonded in a 5-coordinate geometry to five La atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to five La and one In atom. In the fourth Pb site, Pb is bonded in a 7-coordinate geometry to five La and two equivalent In atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224087
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La3InPb4; In-La-Pb
OSTI Identifier:
1705857
DOI:
https://doi.org/10.17188/1705857

Citation Formats

The Materials Project. Materials Data on La3InPb4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705857.
The Materials Project. Materials Data on La3InPb4 by Materials Project. United States. doi:https://doi.org/10.17188/1705857
The Materials Project. 2019. "Materials Data on La3InPb4 by Materials Project". United States. doi:https://doi.org/10.17188/1705857. https://www.osti.gov/servlets/purl/1705857. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1705857,
title = {Materials Data on La3InPb4 by Materials Project},
author = {The Materials Project},
abstractNote = {La3InPb4 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to one In and seven Pb atoms. The La–In bond length is 3.36 Å. There are a spread of La–Pb bond distances ranging from 3.35–3.55 Å. In the second La site, La is bonded in a 8-coordinate geometry to two equivalent In and six Pb atoms. Both La–In bond lengths are 3.53 Å. There are a spread of La–Pb bond distances ranging from 3.36–3.55 Å. In the third La site, La is bonded in a 2-coordinate geometry to two equivalent In and eight Pb atoms. Both La–In bond lengths are 3.57 Å. There are a spread of La–Pb bond distances ranging from 3.14–3.57 Å. In is bonded in a 8-coordinate geometry to five La and three Pb atoms. There are two shorter (3.12 Å) and one longer (3.24 Å) In–Pb bond lengths. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded to six La atoms to form corner-sharing PbLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. In the second Pb site, Pb is bonded in a 5-coordinate geometry to five La atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to five La and one In atom. In the fourth Pb site, Pb is bonded in a 7-coordinate geometry to five La and two equivalent In atoms.},
doi = {10.17188/1705857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}