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Title: Materials Data on Tm2Ni17 by Materials Project

Abstract

Tm2Ni17 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 in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.89–3.21 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.80–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Tm and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.70 Å. In the second Ni site, Ni is bonded to two equivalent Tm and ten Ni atoms to form NiTm2Ni10 cuboctahedra that share corners with fourteen NiTm2Ni10 cuboctahedra, edges with six equivalent NiTm3Ni9 cuboctahedra, and faces with ten NiTm2Ni10 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Tm and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.50 Å. In the fourth Ni site,more » Ni is bonded to three Tm and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTm3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.38 Å.« less

Publication Date:
Other Number(s):
mp-11527
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; Tm2Ni17; Ni-Tm
OSTI Identifier:
1188035
DOI:
https://doi.org/10.17188/1188035

Citation Formats

The Materials Project. Materials Data on Tm2Ni17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188035.
The Materials Project. Materials Data on Tm2Ni17 by Materials Project. United States. doi:https://doi.org/10.17188/1188035
The Materials Project. 2020. "Materials Data on Tm2Ni17 by Materials Project". United States. doi:https://doi.org/10.17188/1188035. https://www.osti.gov/servlets/purl/1188035. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1188035,
title = {Materials Data on Tm2Ni17 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2Ni17 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 in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.89–3.21 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.80–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Tm and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.70 Å. In the second Ni site, Ni is bonded to two equivalent Tm and ten Ni atoms to form NiTm2Ni10 cuboctahedra that share corners with fourteen NiTm2Ni10 cuboctahedra, edges with six equivalent NiTm3Ni9 cuboctahedra, and faces with ten NiTm2Ni10 cuboctahedra. There are four shorter (2.37 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Tm and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.50 Å. In the fourth Ni site, Ni is bonded to three Tm and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTm3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.38 Å.},
doi = {10.17188/1188035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}