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Title: Materials Data on Re2Si by Materials Project

Abstract

Re2Si crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Re sites. In the first Re site, Re is bonded in a 11-coordinate geometry to eight Re and three Si atoms. There are a spread of Re–Re bond distances ranging from 2.65–2.89 Å. There are a spread of Re–Si bond distances ranging from 2.54–2.82 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to six Re and four Si atoms. There are a spread of Re–Re bond distances ranging from 2.56–2.76 Å. There are a spread of Re–Si bond distances ranging from 2.50–2.83 Å. In the third Re site, Re is bonded in a 11-coordinate geometry to six Re and five Si atoms. There are one shorter (2.65 Å) and two longer (2.81 Å) Re–Re bond lengths. There are a spread of Re–Si bond distances ranging from 2.42–3.03 Å. In the fourth Re site, Re is bonded in a 10-coordinate geometry to six Re and four Si atoms. There are a spread of Re–Si bond distances ranging from 2.48–2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eightmore » Re and one Si atom. The Si–Si bond length is 2.81 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to eight Re and two Si atoms. The Si–Si bond length is 2.87 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-669547
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; Re2Si; Re-Si
OSTI Identifier:
1281704
DOI:
10.17188/1281704

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281704.
Persson, Kristin, & Project, Materials. Materials Data on Re2Si by Materials Project. United States. doi:10.17188/1281704.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re2Si by Materials Project". United States. doi:10.17188/1281704. https://www.osti.gov/servlets/purl/1281704. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281704,
title = {Materials Data on Re2Si by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re2Si crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Re sites. In the first Re site, Re is bonded in a 11-coordinate geometry to eight Re and three Si atoms. There are a spread of Re–Re bond distances ranging from 2.65–2.89 Å. There are a spread of Re–Si bond distances ranging from 2.54–2.82 Å. In the second Re site, Re is bonded in a 10-coordinate geometry to six Re and four Si atoms. There are a spread of Re–Re bond distances ranging from 2.56–2.76 Å. There are a spread of Re–Si bond distances ranging from 2.50–2.83 Å. In the third Re site, Re is bonded in a 11-coordinate geometry to six Re and five Si atoms. There are one shorter (2.65 Å) and two longer (2.81 Å) Re–Re bond lengths. There are a spread of Re–Si bond distances ranging from 2.42–3.03 Å. In the fourth Re site, Re is bonded in a 10-coordinate geometry to six Re and four Si atoms. There are a spread of Re–Si bond distances ranging from 2.48–2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Re and one Si atom. The Si–Si bond length is 2.81 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to eight Re and two Si atoms. The Si–Si bond length is 2.87 Å.},
doi = {10.17188/1281704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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