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

Abstract

Th(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.30 Å. Au2+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Au2+, and one Si4- atom. The Si–Si bond length is 2.32 Å.

Publication Date:
Other Number(s):
mp-16250
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; Th(SiAu)2; Au-Si-Th
OSTI Identifier:
1191697
DOI:
https://doi.org/10.17188/1191697

Citation Formats

The Materials Project. Materials Data on Th(SiAu)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191697.
The Materials Project. Materials Data on Th(SiAu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1191697
The Materials Project. 2020. "Materials Data on Th(SiAu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1191697. https://www.osti.gov/servlets/purl/1191697. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191697,
title = {Materials Data on Th(SiAu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Th(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.30 Å. Au2+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Au2+, and one Si4- atom. The Si–Si bond length is 2.32 Å.},
doi = {10.17188/1191697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}