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Title: Materials Data on Lu2Si5Ir3 by Materials Project

Abstract

Lu2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 1-coordinate geometry to ten Si4- atoms. There are a spread of Lu–Si bond distances ranging from 2.93–3.27 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.44 Å) and two longer (2.56 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.32–2.44 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent Lu3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ir+4.67+, and two equivalent Si4- atoms. In the third Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Lu3+ and four equivalent Ir+4.67+ atoms.

Publication Date:
Other Number(s):
mp-568336
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; Lu2Si5Ir3; Ir-Lu-Si
OSTI Identifier:
1274373
DOI:
https://doi.org/10.17188/1274373

Citation Formats

The Materials Project. Materials Data on Lu2Si5Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274373.
The Materials Project. Materials Data on Lu2Si5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1274373
The Materials Project. 2020. "Materials Data on Lu2Si5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1274373. https://www.osti.gov/servlets/purl/1274373. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1274373,
title = {Materials Data on Lu2Si5Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 1-coordinate geometry to ten Si4- atoms. There are a spread of Lu–Si bond distances ranging from 2.93–3.27 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.44 Å) and two longer (2.56 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.32–2.44 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to four equivalent Lu3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ir+4.67+, and two equivalent Si4- atoms. In the third Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Lu3+ and four equivalent Ir+4.67+ atoms.},
doi = {10.17188/1274373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}