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Title: Materials Data on ThSi2 by Materials Project

Abstract

ThSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ThSi12 cuboctahedra. There are eight shorter (3.15 Å) and four longer (3.18 Å) Th–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Si–Si bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-2844
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ThSi2; Si-Th
OSTI Identifier:
1202549
DOI:
https://doi.org/10.17188/1202549

Citation Formats

The Materials Project. Materials Data on ThSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202549.
The Materials Project. Materials Data on ThSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1202549
The Materials Project. 2020. "Materials Data on ThSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1202549. https://www.osti.gov/servlets/purl/1202549. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202549,
title = {Materials Data on ThSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ThSi12 cuboctahedra. There are eight shorter (3.15 Å) and four longer (3.18 Å) Th–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Si–Si bond lengths.},
doi = {10.17188/1202549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}