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Title: Materials Data on SmSi3Ni by Materials Project

Abstract

SmNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Sm–Si bond distances ranging from 3.01–3.14 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are two shorter (2.29 Å) and three longer (2.30 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.83 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Sm2+, one Ni2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.

Publication Date:
Other Number(s):
mp-10283
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; SmSi3Ni; Ni-Si-Sm
OSTI Identifier:
1186874
DOI:
10.17188/1186874

Citation Formats

The Materials Project. Materials Data on SmSi3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186874.
The Materials Project. Materials Data on SmSi3Ni by Materials Project. United States. doi:10.17188/1186874.
The Materials Project. 2020. "Materials Data on SmSi3Ni by Materials Project". United States. doi:10.17188/1186874. https://www.osti.gov/servlets/purl/1186874. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186874,
title = {Materials Data on SmSi3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {SmNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm2+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Sm–Si bond distances ranging from 3.01–3.14 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are two shorter (2.29 Å) and three longer (2.30 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.83 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Sm2+, one Ni2+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.42 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Sm2+, two equivalent Ni2+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.},
doi = {10.17188/1186874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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