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Title: Materials Data on Y5CuPb3 by Materials Project

Abstract

Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Y–Cu bond lengths are 2.82 Å. There are a spread of Y–Pb bond distances ranging from 3.08–3.61 Å. In the second Y site, Y is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Y–Pb bond lengths are 3.24 Å. Cu is bonded to six equivalent Y atoms to form face-sharing CuY6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Y atoms.

Publication Date:
Other Number(s):
mp-646750
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; Y5CuPb3; Cu-Pb-Y
OSTI Identifier:
1280650
DOI:
https://doi.org/10.17188/1280650

Citation Formats

The Materials Project. Materials Data on Y5CuPb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280650.
The Materials Project. Materials Data on Y5CuPb3 by Materials Project. United States. doi:https://doi.org/10.17188/1280650
The Materials Project. 2020. "Materials Data on Y5CuPb3 by Materials Project". United States. doi:https://doi.org/10.17188/1280650. https://www.osti.gov/servlets/purl/1280650. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280650,
title = {Materials Data on Y5CuPb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Y–Cu bond lengths are 2.82 Å. There are a spread of Y–Pb bond distances ranging from 3.08–3.61 Å. In the second Y site, Y is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Y–Pb bond lengths are 3.24 Å. Cu is bonded to six equivalent Y atoms to form face-sharing CuY6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Y atoms.},
doi = {10.17188/1280650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}