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Title: Materials Data on Nd5Pb4 by Materials Project

Abstract

Nd5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Nd–Pb bond distances ranging from 3.20–3.41 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Nd–Pb bond distances ranging from 3.27–3.99 Å. In the third Nd site, Nd is bonded to six Pb atoms to form a mixture of corner and face-sharing NdPb6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Nd–Pb bond distances ranging from 3.23–3.39 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Nd and one Pb atom. The Pb–Pb bond length is 3.23 Å. In the second Pb site, Pb is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Nd and one Pb atom.

Publication Date:
Other Number(s):
mp-1204902
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; Nd5Pb4; Nd-Pb
OSTI Identifier:
1699545
DOI:
https://doi.org/10.17188/1699545

Citation Formats

The Materials Project. Materials Data on Nd5Pb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699545.
The Materials Project. Materials Data on Nd5Pb4 by Materials Project. United States. doi:https://doi.org/10.17188/1699545
The Materials Project. 2020. "Materials Data on Nd5Pb4 by Materials Project". United States. doi:https://doi.org/10.17188/1699545. https://www.osti.gov/servlets/purl/1699545. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1699545,
title = {Materials Data on Nd5Pb4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing NdPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Nd–Pb bond distances ranging from 3.20–3.41 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Nd–Pb bond distances ranging from 3.27–3.99 Å. In the third Nd site, Nd is bonded to six Pb atoms to form a mixture of corner and face-sharing NdPb6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Nd–Pb bond distances ranging from 3.23–3.39 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Nd and one Pb atom. The Pb–Pb bond length is 3.23 Å. In the second Pb site, Pb is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Nd and one Pb atom.},
doi = {10.17188/1699545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}