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Title: Materials Data on YSi3Ir by Materials Project

Abstract

YIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.33 Å) and one longer (3.40 Å) Y–Ir bond lengths. There are a spread of Y–Si bond distances ranging from 3.08–3.35 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Y and five Si atoms. There are one shorter (2.33 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Y, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Y, two equivalent Ir, and two equivalent Si atoms.

Publication Date:
Other Number(s):
mp-1068587
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; YSi3Ir; Ir-Si-Y
OSTI Identifier:
1685737
DOI:
https://doi.org/10.17188/1685737

Citation Formats

The Materials Project. Materials Data on YSi3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685737.
The Materials Project. Materials Data on YSi3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1685737
The Materials Project. 2020. "Materials Data on YSi3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1685737. https://www.osti.gov/servlets/purl/1685737. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1685737,
title = {Materials Data on YSi3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {YIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.33 Å) and one longer (3.40 Å) Y–Ir bond lengths. There are a spread of Y–Si bond distances ranging from 3.08–3.35 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Y and five Si atoms. There are one shorter (2.33 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Y, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Y, two equivalent Ir, and two equivalent Si atoms.},
doi = {10.17188/1685737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}