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Title: Materials Data on Tm3Co2Si3 by Materials Project

Abstract

Tm3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to five Si4- atoms to form TmSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent TmSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.84 Å) and one longer (3.14 Å) Tm–Si bond lengths. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Tm–Si bond distances ranging from 2.89–3.24 Å. Co+1.50+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with three equivalent CoSi4 tetrahedra, corners with two equivalent TmSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent TmSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.32–2.57 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Tm3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Tm3+, three equivalent Co+1.50+, and one Si4- atom. Themore » Si–Si bond length is 2.65 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1207965
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; Tm3Co2Si3; Co-Si-Tm
OSTI Identifier:
1689718
DOI:
https://doi.org/10.17188/1689718

Citation Formats

The Materials Project. Materials Data on Tm3Co2Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689718.
The Materials Project. Materials Data on Tm3Co2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1689718
The Materials Project. 2020. "Materials Data on Tm3Co2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1689718. https://www.osti.gov/servlets/purl/1689718. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689718,
title = {Materials Data on Tm3Co2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to five Si4- atoms to form TmSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent TmSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.84 Å) and one longer (3.14 Å) Tm–Si bond lengths. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Tm–Si bond distances ranging from 2.89–3.24 Å. Co+1.50+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with three equivalent CoSi4 tetrahedra, corners with two equivalent TmSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent TmSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.32–2.57 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Tm3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Tm3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bond length is 2.65 Å.},
doi = {10.17188/1689718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}