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Title: Materials Data on Re2AuSe by Materials Project

Abstract

Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Au and four equivalent Se atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent ReAu6Se4 tetrahedra, edges with twelve equivalent ReAu4Se6 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 3.21 Å. All Re–Se bond lengths are 2.78 Å. In the second Re site, Re is bonded to four equivalent Au and six equivalent Se atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent ReAu4Se6 tetrahedra, edges with twelve equivalent ReAu6Se4 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 2.78 Å. All Re–Se bond lengths are 3.21 Å. Au is bonded in a 4-coordinate geometry to ten Re and four equivalent Se atoms. All Au–Se bond lengths are 2.78 Å. Se is bonded in a 4-coordinate geometry to ten Re and four equivalent Au atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631573
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; Re2AuSe; Au-Re-Se
OSTI Identifier:
1279261
DOI:
10.17188/1279261

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re2AuSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279261.
Persson, Kristin, & Project, Materials. Materials Data on Re2AuSe by Materials Project. United States. doi:10.17188/1279261.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re2AuSe by Materials Project". United States. doi:10.17188/1279261. https://www.osti.gov/servlets/purl/1279261. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279261,
title = {Materials Data on Re2AuSe by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Au and four equivalent Se atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent ReAu6Se4 tetrahedra, edges with twelve equivalent ReAu4Se6 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 3.21 Å. All Re–Se bond lengths are 2.78 Å. In the second Re site, Re is bonded to four equivalent Au and six equivalent Se atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent ReAu4Se6 tetrahedra, edges with twelve equivalent ReAu6Se4 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 2.78 Å. All Re–Se bond lengths are 3.21 Å. Au is bonded in a 4-coordinate geometry to ten Re and four equivalent Se atoms. All Au–Se bond lengths are 2.78 Å. Se is bonded in a 4-coordinate geometry to ten Re and four equivalent Au atoms.},
doi = {10.17188/1279261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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