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Title: Materials Data on TmNiAs by Materials Project

Abstract

TmNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 2.90 Å. All Tm–As bond lengths are 3.05 Å. In the second Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 3.11 Å. All Tm–As bond lengths are 2.96 Å. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Tm and three equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1207672
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; TmNiAs; As-Ni-Tm
OSTI Identifier:
1656156
DOI:
https://doi.org/10.17188/1656156

Citation Formats

The Materials Project. Materials Data on TmNiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656156.
The Materials Project. Materials Data on TmNiAs by Materials Project. United States. doi:https://doi.org/10.17188/1656156
The Materials Project. 2020. "Materials Data on TmNiAs by Materials Project". United States. doi:https://doi.org/10.17188/1656156. https://www.osti.gov/servlets/purl/1656156. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1656156,
title = {Materials Data on TmNiAs by Materials Project},
author = {The Materials Project},
abstractNote = {TmNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 2.90 Å. All Tm–As bond lengths are 3.05 Å. In the second Tm site, Tm is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing TmNi6As6 cuboctahedra. All Tm–Ni bond lengths are 3.11 Å. All Tm–As bond lengths are 2.96 Å. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Tm and three equivalent Ni atoms.},
doi = {10.17188/1656156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}