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

Title: Materials Data on Tm5Pb4 by Materials Project

Abstract

Tm5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing TmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Tm–Pb bond distances ranging from 3.07–3.26 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Tm–Pb bond distances ranging from 3.12–3.85 Å. In the third Tm site, Tm is bonded to six Pb atoms to form a mixture of corner and face-sharing TmPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Tm–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 Tm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Tm atoms.

Authors:
Publication Date:
Other Number(s):
mp-1204885
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; Tm5Pb4; Pb-Tm
OSTI Identifier:
1672359
DOI:
https://doi.org/10.17188/1672359

Citation Formats

The Materials Project. Materials Data on Tm5Pb4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672359.
The Materials Project. Materials Data on Tm5Pb4 by Materials Project. United States. doi:https://doi.org/10.17188/1672359
The Materials Project. 2019. "Materials Data on Tm5Pb4 by Materials Project". United States. doi:https://doi.org/10.17188/1672359. https://www.osti.gov/servlets/purl/1672359. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672359,
title = {Materials Data on Tm5Pb4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing TmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Tm–Pb bond distances ranging from 3.07–3.26 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Tm–Pb bond distances ranging from 3.12–3.85 Å. In the third Tm site, Tm is bonded to six Pb atoms to form a mixture of corner and face-sharing TmPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Tm–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 Tm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Tm atoms.},
doi = {10.17188/1672359},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}