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Title: Materials Data on Sm5Si3C by Materials Project

Abstract

Sm5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Sm–Si bond lengths are 3.10 Å. In the second Sm3+ site, Sm3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.66 Å. Both Sm–C bond lengths are 2.55 Å. Si4- is bonded in a 9-coordinate geometry to nine Sm3+ atoms. C3- is bonded to six equivalent Sm3+ atoms to form face-sharing CSm6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1189584
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm5Si3C; C-Si-Sm
OSTI Identifier:
1663051
DOI:
https://doi.org/10.17188/1663051

Citation Formats

The Materials Project. Materials Data on Sm5Si3C by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663051.
The Materials Project. Materials Data on Sm5Si3C by Materials Project. United States. doi:https://doi.org/10.17188/1663051
The Materials Project. 2019. "Materials Data on Sm5Si3C by Materials Project". United States. doi:https://doi.org/10.17188/1663051. https://www.osti.gov/servlets/purl/1663051. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1663051,
title = {Materials Data on Sm5Si3C by Materials Project},
author = {The Materials Project},
abstractNote = {Sm5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing SmSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Sm–Si bond lengths are 3.10 Å. In the second Sm3+ site, Sm3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Sm–Si bond distances ranging from 3.06–3.66 Å. Both Sm–C bond lengths are 2.55 Å. Si4- is bonded in a 9-coordinate geometry to nine Sm3+ atoms. C3- is bonded to six equivalent Sm3+ atoms to form face-sharing CSm6 octahedra.},
doi = {10.17188/1663051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}