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

Abstract

Y2(IrSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to four equivalent Y, one Ir, and one Si atom to form a mixture of distorted edge and corner-sharing YY4SiIr octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Y bond lengths are 2.79 Å. The Y–Ir bond length is 2.68 Å. The Y–Si bond length is 2.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Y and one Si atom. The Ir–Si bond length is 2.26 Å. In the second Ir site, Ir is bonded in a distorted linear geometry to two equivalent Si atoms. Both Ir–Si bond lengths are 2.30 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted linear geometry to one Y and one Ir atom. In the second Si site, Si is bonded in a linear geometry to two equivalent Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-1206214
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; Y2(SiIr)3; Ir-Si-Y
OSTI Identifier:
1689651
DOI:
https://doi.org/10.17188/1689651

Citation Formats

The Materials Project. Materials Data on Y2(SiIr)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689651.
The Materials Project. Materials Data on Y2(SiIr)3 by Materials Project. United States. doi:https://doi.org/10.17188/1689651
The Materials Project. 2019. "Materials Data on Y2(SiIr)3 by Materials Project". United States. doi:https://doi.org/10.17188/1689651. https://www.osti.gov/servlets/purl/1689651. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689651,
title = {Materials Data on Y2(SiIr)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2(IrSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to four equivalent Y, one Ir, and one Si atom to form a mixture of distorted edge and corner-sharing YY4SiIr octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Y bond lengths are 2.79 Å. The Y–Ir bond length is 2.68 Å. The Y–Si bond length is 2.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted linear geometry to one Y and one Si atom. The Ir–Si bond length is 2.26 Å. In the second Ir site, Ir is bonded in a distorted linear geometry to two equivalent Si atoms. Both Ir–Si bond lengths are 2.30 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted linear geometry to one Y and one Ir atom. In the second Si site, Si is bonded in a linear geometry to two equivalent Ir atoms.},
doi = {10.17188/1689651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}