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Title: Materials Data on SrHfRe2 by Materials Project

Abstract

SrHfRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Hf and ten Re atoms. All Sr–Hf bond lengths are 2.92 Å. There are four shorter (2.92 Å) and six longer (3.37 Å) Sr–Re bond lengths. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Re atoms. All Hf–Re bond lengths are 2.92 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Sr and four equivalent Re atoms to form distorted ReSr4Re4 tetrahedra that share corners with twelve equivalent ReSr6Hf4Re4 tetrahedra, edges with twelve equivalent ReSr4Re4 tetrahedra, and faces with four equivalent ReSr6Hf4Re4 tetrahedra. All Re–Re bond lengths are 2.92 Å. In the second Re site, Re is bonded to six equivalent Sr, four equivalent Hf, and four equivalent Re atoms to form distorted ReSr6Hf4Re4 tetrahedra that share corners with eighteen ReSr4Re4 tetrahedra and faces with sixteen ReSr6Hf4Re4 tetrahedra.

Publication Date:
Other Number(s):
mp-631392
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; SrHfRe2; Hf-Re-Sr
OSTI Identifier:
1279119
DOI:
10.17188/1279119

Citation Formats

The Materials Project. Materials Data on SrHfRe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279119.
The Materials Project. Materials Data on SrHfRe2 by Materials Project. United States. doi:10.17188/1279119.
The Materials Project. 2020. "Materials Data on SrHfRe2 by Materials Project". United States. doi:10.17188/1279119. https://www.osti.gov/servlets/purl/1279119. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1279119,
title = {Materials Data on SrHfRe2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrHfRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Hf and ten Re atoms. All Sr–Hf bond lengths are 2.92 Å. There are four shorter (2.92 Å) and six longer (3.37 Å) Sr–Re bond lengths. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Re atoms. All Hf–Re bond lengths are 2.92 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Sr and four equivalent Re atoms to form distorted ReSr4Re4 tetrahedra that share corners with twelve equivalent ReSr6Hf4Re4 tetrahedra, edges with twelve equivalent ReSr4Re4 tetrahedra, and faces with four equivalent ReSr6Hf4Re4 tetrahedra. All Re–Re bond lengths are 2.92 Å. In the second Re site, Re is bonded to six equivalent Sr, four equivalent Hf, and four equivalent Re atoms to form distorted ReSr6Hf4Re4 tetrahedra that share corners with eighteen ReSr4Re4 tetrahedra and faces with sixteen ReSr6Hf4Re4 tetrahedra.},
doi = {10.17188/1279119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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