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Title: Materials Data on Yb5Ir3 by Materials Project

Abstract

Yb5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to five Ir atoms to form distorted YbIr5 trigonal bipyramids that share corners with four equivalent YbIr4 tetrahedra, corners with eleven equivalent YbIr5 trigonal bipyramids, an edgeedge with one YbIr4 tetrahedra, edges with six equivalent YbIr5 trigonal bipyramids, and faces with two equivalent YbIr5 trigonal bipyramids. There are a spread of Yb–Ir bond distances ranging from 2.88–3.08 Å. In the second Yb site, Yb is bonded to four equivalent Ir atoms to form YbIr4 tetrahedra that share corners with sixteen equivalent YbIr5 trigonal bipyramids, edges with two equivalent YbIr4 tetrahedra, and edges with four equivalent YbIr5 trigonal bipyramids. All Yb–Ir bond lengths are 2.82 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Yb atoms.

Authors:
Publication Date:
Other Number(s):
mp-1198012
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; Yb5Ir3; Ir-Yb
OSTI Identifier:
1695478
DOI:
https://doi.org/10.17188/1695478

Citation Formats

The Materials Project. Materials Data on Yb5Ir3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695478.
The Materials Project. Materials Data on Yb5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1695478
The Materials Project. 2019. "Materials Data on Yb5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1695478. https://www.osti.gov/servlets/purl/1695478. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695478,
title = {Materials Data on Yb5Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to five Ir atoms to form distorted YbIr5 trigonal bipyramids that share corners with four equivalent YbIr4 tetrahedra, corners with eleven equivalent YbIr5 trigonal bipyramids, an edgeedge with one YbIr4 tetrahedra, edges with six equivalent YbIr5 trigonal bipyramids, and faces with two equivalent YbIr5 trigonal bipyramids. There are a spread of Yb–Ir bond distances ranging from 2.88–3.08 Å. In the second Yb site, Yb is bonded to four equivalent Ir atoms to form YbIr4 tetrahedra that share corners with sixteen equivalent YbIr5 trigonal bipyramids, edges with two equivalent YbIr4 tetrahedra, and edges with four equivalent YbIr5 trigonal bipyramids. All Yb–Ir bond lengths are 2.82 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Yb atoms.},
doi = {10.17188/1695478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}