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Title: Materials Data on ThCo9Si2 by Materials Project

Abstract

ThCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.05–3.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Th, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.63 Å. All Co–Si bond lengths are 2.56 Å. In the second Co site, Co is bonded to two equivalent Th, eight Co, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing CoTh2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.63 Å. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.

Publication Date:
Other Number(s):
mp-17474
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; ThCo9Si2; Co-Si-Th
OSTI Identifier:
1192526
DOI:
https://doi.org/10.17188/1192526

Citation Formats

The Materials Project. Materials Data on ThCo9Si2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192526.
The Materials Project. Materials Data on ThCo9Si2 by Materials Project. United States. doi:https://doi.org/10.17188/1192526
The Materials Project. 2020. "Materials Data on ThCo9Si2 by Materials Project". United States. doi:https://doi.org/10.17188/1192526. https://www.osti.gov/servlets/purl/1192526. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1192526,
title = {Materials Data on ThCo9Si2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.05–3.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Th, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.63 Å. All Co–Si bond lengths are 2.56 Å. In the second Co site, Co is bonded to two equivalent Th, eight Co, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing CoTh2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.63 Å. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.},
doi = {10.17188/1192526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}