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

Abstract

ThCr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.11 Å. Cr2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CrSi4 tetrahedra. All Cr–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Cr2+, and one Si4- atom. The Si–Si bond length is 2.58 Å.

Publication Date:
Other Number(s):
mp-5400
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(CrSi)2; Cr-Si-Th
OSTI Identifier:
1263616
DOI:
10.17188/1263616

Citation Formats

The Materials Project. Materials Data on Th(CrSi)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1263616.
The Materials Project. Materials Data on Th(CrSi)2 by Materials Project. United States. doi:10.17188/1263616.
The Materials Project. 2017. "Materials Data on Th(CrSi)2 by Materials Project". United States. doi:10.17188/1263616. https://www.osti.gov/servlets/purl/1263616. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1263616,
title = {Materials Data on Th(CrSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.11 Å. Cr2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CrSi4 tetrahedra. All Cr–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Cr2+, and one Si4- atom. The Si–Si bond length is 2.58 Å.},
doi = {10.17188/1263616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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