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Title: Materials Data on U2Si3Ir by Materials Project

Abstract

U2IrSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.04 Å. In the second U+4.50+ site, U+4.50+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of U–Si bond distances ranging from 3.00–3.06 Å. Ir3+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.41 Å) and two longer (2.42 Å) Ir–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U+4.50+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to six U+4.50+, two equivalent Ir3+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to six U+4.50+, one Ir3+, and two equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216568
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; U2Si3Ir; Ir-Si-U
OSTI Identifier:
1717240
DOI:
https://doi.org/10.17188/1717240

Citation Formats

The Materials Project. Materials Data on U2Si3Ir by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717240.
The Materials Project. Materials Data on U2Si3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1717240
The Materials Project. 2019. "Materials Data on U2Si3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1717240. https://www.osti.gov/servlets/purl/1717240. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717240,
title = {Materials Data on U2Si3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {U2IrSi3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of U–Si bond distances ranging from 2.97–3.04 Å. In the second U+4.50+ site, U+4.50+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of U–Si bond distances ranging from 3.00–3.06 Å. Ir3+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.41 Å) and two longer (2.42 Å) Ir–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six U+4.50+ and three Si4- atoms. There are one shorter (2.33 Å) and two longer (2.36 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to six U+4.50+, two equivalent Ir3+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 1-coordinate geometry to six U+4.50+, one Ir3+, and two equivalent Si4- atoms.},
doi = {10.17188/1717240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}