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Title: Materials Data on Ce10Si5Ni by Materials Project

Abstract

Ce10NiSi5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to one Ni and five Si atoms to form corner-sharing CeSi5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–58°. The Ce–Ni bond length is 3.10 Å. There are a spread of Ce–Si bond distances ranging from 3.08–3.21 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.03 Å. There are two shorter (3.06 Å) and two longer (3.07 Å) Ce–Si bond lengths. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.07 Å. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.02 Å. There are a spread of Ce–Si bond distances ranging from 3.00–3.09 Å. Ni is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Ni–Si bond length is 2.47 Å. There are three inequivalent Si sites. In themore » first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.50 Å.« less

Publication Date:
Other Number(s):
mp-1227652
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; Ce10Si5Ni; Ce-Ni-Si
OSTI Identifier:
1753139
DOI:
https://doi.org/10.17188/1753139

Citation Formats

The Materials Project. Materials Data on Ce10Si5Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753139.
The Materials Project. Materials Data on Ce10Si5Ni by Materials Project. United States. doi:https://doi.org/10.17188/1753139
The Materials Project. 2020. "Materials Data on Ce10Si5Ni by Materials Project". United States. doi:https://doi.org/10.17188/1753139. https://www.osti.gov/servlets/purl/1753139. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1753139,
title = {Materials Data on Ce10Si5Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Ce10NiSi5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to one Ni and five Si atoms to form corner-sharing CeSi5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–58°. The Ce–Ni bond length is 3.10 Å. There are a spread of Ce–Si bond distances ranging from 3.08–3.21 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.03 Å. There are two shorter (3.06 Å) and two longer (3.07 Å) Ce–Si bond lengths. In the third Ce site, Ce is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.07 Å. In the fourth Ce site, Ce is bonded in a 5-coordinate geometry to one Ni and four Si atoms. The Ce–Ni bond length is 3.02 Å. There are a spread of Ce–Si bond distances ranging from 3.00–3.09 Å. Ni is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Ni–Si bond length is 2.47 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Ni atom. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.50 Å.},
doi = {10.17188/1753139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}