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Title: Materials Data on Ho3Co2Si3 by Materials Project

Abstract

Ho3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to five Si4- atoms to form HoSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent HoSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.86 Å) and one longer (3.21 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.92–3.26 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 HoSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent HoSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.33–2.60 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Ho3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ho3+, three equivalent Co+1.50+, and one Si4- atom. Themore » Si–Si bond length is 2.74 Å.« less

Publication Date:
Other Number(s):
mp-1212311
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; Ho3Co2Si3; Co-Ho-Si
OSTI Identifier:
1726895
DOI:
https://doi.org/10.17188/1726895

Citation Formats

The Materials Project. Materials Data on Ho3Co2Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726895.
The Materials Project. Materials Data on Ho3Co2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1726895
The Materials Project. 2020. "Materials Data on Ho3Co2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1726895. https://www.osti.gov/servlets/purl/1726895. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1726895,
title = {Materials Data on Ho3Co2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to five Si4- atoms to form HoSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent HoSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are four shorter (2.86 Å) and one longer (3.21 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Ho–Si bond distances ranging from 2.92–3.26 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 HoSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent HoSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.33–2.60 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Ho3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ho3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bond length is 2.74 Å.},
doi = {10.17188/1726895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}