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Title: Materials Data on BaSi9Rh2 by Materials Project

Abstract

BaRh2Si9 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Si atoms. There are a spread of Ba–Si bond distances ranging from 3.29–3.73 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.73 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.70 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to three equivalent Ba, one Rh, and two Si atoms. There are one shorter (2.41 Å) and one longer (2.76 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 1-coordinate geometry to three equivalent Ba, one Rh, and two Si atoms. There are one shorter (2.41 Å) and one longer (2.78 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 2-coordinate geometry to three Rh and five Si atoms. Theremore » are a spread of Si–Si bond distances ranging from 2.37–2.87 Å. In the fourth Si site, Si is bonded in a 2-coordinate geometry to one Ba, three Rh, and two Si atoms. The Si–Si bond length is 2.37 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to four equivalent Ba and four Si atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1190822
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; BaSi9Rh2; Ba-Rh-Si
OSTI Identifier:
1689155
DOI:
https://doi.org/10.17188/1689155

Citation Formats

The Materials Project. Materials Data on BaSi9Rh2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689155.
The Materials Project. Materials Data on BaSi9Rh2 by Materials Project. United States. doi:https://doi.org/10.17188/1689155
The Materials Project. 2020. "Materials Data on BaSi9Rh2 by Materials Project". United States. doi:https://doi.org/10.17188/1689155. https://www.osti.gov/servlets/purl/1689155. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1689155,
title = {Materials Data on BaSi9Rh2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaRh2Si9 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Si atoms. There are a spread of Ba–Si bond distances ranging from 3.29–3.73 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.73 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.70 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to three equivalent Ba, one Rh, and two Si atoms. There are one shorter (2.41 Å) and one longer (2.76 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 1-coordinate geometry to three equivalent Ba, one Rh, and two Si atoms. There are one shorter (2.41 Å) and one longer (2.78 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 2-coordinate geometry to three Rh and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.37–2.87 Å. In the fourth Si site, Si is bonded in a 2-coordinate geometry to one Ba, three Rh, and two Si atoms. The Si–Si bond length is 2.37 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to four equivalent Ba and four Si atoms.},
doi = {10.17188/1689155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}