skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sm3Si2Ni by Materials Project

Abstract

Sm3NiSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to one Ni2+ and five Si4- atoms. The Sm–Ni bond length is 2.86 Å. There are four shorter (3.00 Å) and one longer (3.22 Å) Sm–Si bond lengths. In the second Sm2+ site, Sm2+ is bonded to five Si4- atoms to form distorted edge-sharing SmSi5 square pyramids. There are a spread of Sm–Si bond distances ranging from 2.96–3.04 Å. In the third Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to two equivalent Ni2+ and five Si4- atoms. Both Sm–Ni bond lengths are 2.82 Å. There are a spread of Sm–Si bond distances ranging from 2.95–3.65 Å. Ni2+ is bonded in a 3-coordinate geometry to three Sm2+ and three Si4- atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Sm2+ and one Ni2+ atom. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Sm2+ and two equivalent Ni2+more » atoms.« less

Publication Date:
Other Number(s):
mp-617312
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; Sm3Si2Ni; Ni-Si-Sm
OSTI Identifier:
1277924
DOI:
10.17188/1277924

Citation Formats

The Materials Project. Materials Data on Sm3Si2Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277924.
The Materials Project. Materials Data on Sm3Si2Ni by Materials Project. United States. doi:10.17188/1277924.
The Materials Project. 2020. "Materials Data on Sm3Si2Ni by Materials Project". United States. doi:10.17188/1277924. https://www.osti.gov/servlets/purl/1277924. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1277924,
title = {Materials Data on Sm3Si2Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3NiSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to one Ni2+ and five Si4- atoms. The Sm–Ni bond length is 2.86 Å. There are four shorter (3.00 Å) and one longer (3.22 Å) Sm–Si bond lengths. In the second Sm2+ site, Sm2+ is bonded to five Si4- atoms to form distorted edge-sharing SmSi5 square pyramids. There are a spread of Sm–Si bond distances ranging from 2.96–3.04 Å. In the third Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to two equivalent Ni2+ and five Si4- atoms. Both Sm–Ni bond lengths are 2.82 Å. There are a spread of Sm–Si bond distances ranging from 2.95–3.65 Å. Ni2+ is bonded in a 3-coordinate geometry to three Sm2+ and three Si4- atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Sm2+ and one Ni2+ atom. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Sm2+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1277924},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: