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Title: Materials Data on HfRe2 by Materials Project

Abstract

HfRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.08 Å) and nine longer (3.10 Å) Hf–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. All Re–Re bond lengths are 2.67 Å. In the second Re site, Re is bonded to six equivalent Hf and six Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.72 Å) Re–Re bond lengths.

Publication Date:
Other Number(s):
mp-1689
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; HfRe2; Hf-Re
OSTI Identifier:
1192223
DOI:
https://doi.org/10.17188/1192223

Citation Formats

The Materials Project. Materials Data on HfRe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192223.
The Materials Project. Materials Data on HfRe2 by Materials Project. United States. doi:https://doi.org/10.17188/1192223
The Materials Project. 2020. "Materials Data on HfRe2 by Materials Project". United States. doi:https://doi.org/10.17188/1192223. https://www.osti.gov/servlets/purl/1192223. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192223,
title = {Materials Data on HfRe2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.08 Å) and nine longer (3.10 Å) Hf–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. All Re–Re bond lengths are 2.67 Å. In the second Re site, Re is bonded to six equivalent Hf and six Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.72 Å) Re–Re bond lengths.},
doi = {10.17188/1192223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}