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

Title: Materials Data on Y2(Al3Ir)3 by Materials Project

Abstract

Y2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Y–Ir bond distances ranging from 3.43–3.47 Å. There are a spread of Y–Al bond distances ranging from 3.06–3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry tomore » two equivalent Y and two equivalent Ir atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1207707
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; Y2(Al3Ir)3; Al-Ir-Y
OSTI Identifier:
1672722
DOI:
10.17188/1672722

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y2(Al3Ir)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672722.
Persson, Kristin, & Project, Materials. Materials Data on Y2(Al3Ir)3 by Materials Project. United States. doi:10.17188/1672722.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Y2(Al3Ir)3 by Materials Project". United States. doi:10.17188/1672722. https://www.osti.gov/servlets/purl/1672722. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672722,
title = {Materials Data on Y2(Al3Ir)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Y–Ir bond distances ranging from 3.43–3.47 Å. There are a spread of Y–Al bond distances ranging from 3.06–3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ir atoms.},
doi = {10.17188/1672722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: