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Title: Materials Data on Sm2Si5Ru3 by Materials Project

Abstract

Sm2Ru3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to nine Si+2.40- atoms. There are a spread of Sm–Si bond distances ranging from 2.82–3.40 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Ru–Si bond distances ranging from 2.34–2.67 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are two shorter (2.32 Å) and four longer (2.62 Å) Ru–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to three equivalent Sm3+, three Ru2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.65 Å. In the second Si+2.40- site, Si+2.40- is bonded to four equivalent Sm3+, four Ru2+, and four Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing SiSm4Si4Ru4 cuboctahedra. Both Si–Si bond lengths are 2.84 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Sm3+ and four equivalent Ru2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505681
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; Sm2Si5Ru3; Ru-Si-Sm
OSTI Identifier:
1262694
DOI:
10.17188/1262694

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm2Si5Ru3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262694.
Persson, Kristin, & Project, Materials. Materials Data on Sm2Si5Ru3 by Materials Project. United States. doi:10.17188/1262694.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sm2Si5Ru3 by Materials Project". United States. doi:10.17188/1262694. https://www.osti.gov/servlets/purl/1262694. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1262694,
title = {Materials Data on Sm2Si5Ru3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm2Ru3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to nine Si+2.40- atoms. There are a spread of Sm–Si bond distances ranging from 2.82–3.40 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are a spread of Ru–Si bond distances ranging from 2.34–2.67 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are two shorter (2.32 Å) and four longer (2.62 Å) Ru–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to three equivalent Sm3+, three Ru2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.65 Å. In the second Si+2.40- site, Si+2.40- is bonded to four equivalent Sm3+, four Ru2+, and four Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing SiSm4Si4Ru4 cuboctahedra. Both Si–Si bond lengths are 2.84 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Sm3+ and four equivalent Ru2+ atoms.},
doi = {10.17188/1262694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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