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Title: Materials Data on HoTc2 by Materials Project

Abstract

HoTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Tc atoms. There are a spread of Ho–Tc bond distances ranging from 3.14–3.16 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Ho and six equivalent Tc atoms to form a mixture of corner, edge, and face-sharing TcHo6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.73 Å. In the second Tc site, Tc is bonded to six equivalent Ho and six Tc atoms to form a mixture of corner, edge, and face-sharing TcHo6Tc6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.76 Å) Tc–Tc bond lengths.

Publication Date:
Other Number(s):
mp-1101968
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; HoTc2; Ho-Tc
OSTI Identifier:
1745171
DOI:
https://doi.org/10.17188/1745171

Citation Formats

The Materials Project. Materials Data on HoTc2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745171.
The Materials Project. Materials Data on HoTc2 by Materials Project. United States. doi:https://doi.org/10.17188/1745171
The Materials Project. 2020. "Materials Data on HoTc2 by Materials Project". United States. doi:https://doi.org/10.17188/1745171. https://www.osti.gov/servlets/purl/1745171. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745171,
title = {Materials Data on HoTc2 by Materials Project},
author = {The Materials Project},
abstractNote = {HoTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Tc atoms. There are a spread of Ho–Tc bond distances ranging from 3.14–3.16 Å. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Ho and six equivalent Tc atoms to form a mixture of corner, edge, and face-sharing TcHo6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.73 Å. In the second Tc site, Tc is bonded to six equivalent Ho and six Tc atoms to form a mixture of corner, edge, and face-sharing TcHo6Tc6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.76 Å) Tc–Tc bond lengths.},
doi = {10.17188/1745171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}