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Title: Materials Data on LaSi3Ir by Materials Project

Abstract

LaIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. All La–Ir bond lengths are 3.41 Å. There are a spread of La–Si bond distances ranging from 3.15–3.39 Å. Ir is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. All Ir–Si bond lengths are 2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Ir, and two equivalent Si atoms. Both Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted single-bond geometry to four equivalent La, one Ir, and four equivalent Si atoms.

Publication Date:
Other Number(s):
mp-2914
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; LaSi3Ir; Ir-La-Si
OSTI Identifier:
1203272
DOI:
https://doi.org/10.17188/1203272

Citation Formats

The Materials Project. Materials Data on LaSi3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203272.
The Materials Project. Materials Data on LaSi3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1203272
The Materials Project. 2020. "Materials Data on LaSi3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1203272. https://www.osti.gov/servlets/purl/1203272. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203272,
title = {Materials Data on LaSi3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {LaIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. All La–Ir bond lengths are 3.41 Å. There are a spread of La–Si bond distances ranging from 3.15–3.39 Å. Ir is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. All Ir–Si bond lengths are 2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Ir, and two equivalent Si atoms. Both Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted single-bond geometry to four equivalent La, one Ir, and four equivalent Si atoms.},
doi = {10.17188/1203272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}