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Title: Materials Data on YbIn5Ir by Materials Project

Abstract

YbIrIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with four equivalent YbIn12 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra. There are eight shorter (3.25 Å) and four longer (3.33 Å) Yb–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded to four equivalent Yb and eight equivalent In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra.

Publication Date:
Other Number(s):
mp-636565
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; YbIn5Ir; In-Ir-Yb
OSTI Identifier:
1279590
DOI:
https://doi.org/10.17188/1279590

Citation Formats

The Materials Project. Materials Data on YbIn5Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279590.
The Materials Project. Materials Data on YbIn5Ir by Materials Project. United States. doi:https://doi.org/10.17188/1279590
The Materials Project. 2020. "Materials Data on YbIn5Ir by Materials Project". United States. doi:https://doi.org/10.17188/1279590. https://www.osti.gov/servlets/purl/1279590. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279590,
title = {Materials Data on YbIn5Ir by Materials Project},
author = {The Materials Project},
abstractNote = {YbIrIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with four equivalent YbIn12 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra. There are eight shorter (3.25 Å) and four longer (3.33 Å) Yb–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded to four equivalent Yb and eight equivalent In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra.},
doi = {10.17188/1279590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}