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Title: Materials Data on Gd5Pb4 by Materials Project

Abstract

Gd5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing GdPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Gd–Pb bond distances ranging from 3.15–3.34 Å. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Gd–Pb bond distances ranging from 3.22–3.93 Å. In the third Gd site, Gd is bonded to six Pb atoms to form a mixture of corner and face-sharing GdPb6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Gd–Pb bond distances ranging from 3.17–3.32 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Gd and one Pb atom. The Pb–Pb bond length is 3.20 Å. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Gd atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Gd and one Pb atom.

Publication Date:
Other Number(s):
mp-1202037
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; Gd5Pb4; Gd-Pb
OSTI Identifier:
1652509
DOI:
https://doi.org/10.17188/1652509

Citation Formats

The Materials Project. Materials Data on Gd5Pb4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652509.
The Materials Project. Materials Data on Gd5Pb4 by Materials Project. United States. doi:https://doi.org/10.17188/1652509
The Materials Project. 2019. "Materials Data on Gd5Pb4 by Materials Project". United States. doi:https://doi.org/10.17188/1652509. https://www.osti.gov/servlets/purl/1652509. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652509,
title = {Materials Data on Gd5Pb4 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing GdPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Gd–Pb bond distances ranging from 3.15–3.34 Å. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Gd–Pb bond distances ranging from 3.22–3.93 Å. In the third Gd site, Gd is bonded to six Pb atoms to form a mixture of corner and face-sharing GdPb6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Gd–Pb bond distances ranging from 3.17–3.32 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Gd and one Pb atom. The Pb–Pb bond length is 3.20 Å. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Gd atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Gd and one Pb atom.},
doi = {10.17188/1652509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}