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Title: Materials Data on Ce(SiAu)2 by Materials Project

Abstract

CeAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.28 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent CeSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.32 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5173
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; Ce(SiAu)2; Au-Ce-Si
OSTI Identifier:
1263126
DOI:
10.17188/1263126

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce(SiAu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263126.
Persson, Kristin, & Project, Materials. Materials Data on Ce(SiAu)2 by Materials Project. United States. doi:10.17188/1263126.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce(SiAu)2 by Materials Project". United States. doi:10.17188/1263126. https://www.osti.gov/servlets/purl/1263126. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263126,
title = {Materials Data on Ce(SiAu)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.28 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent CeSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent CeSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.58 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.32 Å.},
doi = {10.17188/1263126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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