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Title: Materials Data on Lu2Si5Ni3 by Materials Project

Abstract

Lu2Ni3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.83–3.12 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.34 Å) and two longer (2.58 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ni–Si bond distances ranging from 2.24–2.32 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Ni2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms.

Publication Date:
Other Number(s):
mp-1105977
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; Lu2Si5Ni3; Lu-Ni-Si
OSTI Identifier:
1743918
DOI:
https://doi.org/10.17188/1743918

Citation Formats

The Materials Project. Materials Data on Lu2Si5Ni3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743918.
The Materials Project. Materials Data on Lu2Si5Ni3 by Materials Project. United States. doi:https://doi.org/10.17188/1743918
The Materials Project. 2020. "Materials Data on Lu2Si5Ni3 by Materials Project". United States. doi:https://doi.org/10.17188/1743918. https://www.osti.gov/servlets/purl/1743918. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743918,
title = {Materials Data on Lu2Si5Ni3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ni3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Lu3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Lu–Si bond distances ranging from 2.83–3.12 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.34 Å) and two longer (2.58 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ni–Si bond distances ranging from 2.24–2.32 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Ni2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three Ni2+, and two equivalent Si+2.40- atoms.},
doi = {10.17188/1743918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}