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Title: Materials Data on HfReSi by Materials Project

Abstract

HfReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.91 Å) and four longer (3.00 Å) Hf–Re bond lengths. There are four shorter (2.72 Å) and one longer (2.82 Å) Hf–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Hf and four Si atoms. There are two shorter (2.47 Å) and two longer (2.63 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Re atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Hf and three equivalent Re atoms.

Publication Date:
Other Number(s):
mp-1079831
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; HfReSi; Hf-Re-Si
OSTI Identifier:
1662382
DOI:
https://doi.org/10.17188/1662382

Citation Formats

The Materials Project. Materials Data on HfReSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662382.
The Materials Project. Materials Data on HfReSi by Materials Project. United States. doi:https://doi.org/10.17188/1662382
The Materials Project. 2020. "Materials Data on HfReSi by Materials Project". United States. doi:https://doi.org/10.17188/1662382. https://www.osti.gov/servlets/purl/1662382. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1662382,
title = {Materials Data on HfReSi by Materials Project},
author = {The Materials Project},
abstractNote = {HfReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.91 Å) and four longer (3.00 Å) Hf–Re bond lengths. There are four shorter (2.72 Å) and one longer (2.82 Å) Hf–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Hf and four Si atoms. There are two shorter (2.47 Å) and two longer (2.63 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Re atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Hf and three equivalent Re atoms.},
doi = {10.17188/1662382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}