DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Er5Pb4 by Materials Project

Abstract

Er5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to six Pb atoms to form a mixture of distorted face, edge, and corner-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Er–Pb bond distances ranging from 3.08–3.27 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Er–Pb bond distances ranging from 3.13–3.86 Å. In the third Er site, Er is bonded to six Pb atoms to form a mixture of face and corner-sharing ErPb6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Er–Pb bond distances ranging from 3.09–3.24 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Er atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Er atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Er atoms.

Publication Date:
Other Number(s):
mp-1198040
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; Er5Pb4; Er-Pb
OSTI Identifier:
1656386
DOI:
https://doi.org/10.17188/1656386

Citation Formats

The Materials Project. Materials Data on Er5Pb4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656386.
The Materials Project. Materials Data on Er5Pb4 by Materials Project. United States. doi:https://doi.org/10.17188/1656386
The Materials Project. 2019. "Materials Data on Er5Pb4 by Materials Project". United States. doi:https://doi.org/10.17188/1656386. https://www.osti.gov/servlets/purl/1656386. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656386,
title = {Materials Data on Er5Pb4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to six Pb atoms to form a mixture of distorted face, edge, and corner-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Er–Pb bond distances ranging from 3.08–3.27 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Er–Pb bond distances ranging from 3.13–3.86 Å. In the third Er site, Er is bonded to six Pb atoms to form a mixture of face and corner-sharing ErPb6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Er–Pb bond distances ranging from 3.09–3.24 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Er atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Er atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Er atoms.},
doi = {10.17188/1656386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}