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Title: Materials Data on Tm11(Ni10C)6 by Materials Project

Abstract

Tm11(Ni10C)6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to fifteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.81–2.98 Å. In the second Tm site, Tm is bonded in a distorted linear geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.10 Å) and eight longer (3.26 Å) Tm–Ni bond lengths. Both Tm–C bond lengths are 2.58 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Tm and twelve Ni atoms. There are four shorter (2.58 Å) and eight longer (2.62 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a single-bond geometry to four equivalent Tm and one C atom. The Ni–C bond length is 1.84 Å. In the third Ni site, Ni is bonded to three Tm and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiTm3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.31–2.49 Å. In the fourth Ni site, Nimore » is bonded in a single-bond geometry to two equivalent Tm, five Ni, and one C atom. The Ni–C bond length is 1.87 Å. C is bonded in a 6-coordinate geometry to one Tm and five Ni atoms.« less

Publication Date:
Other Number(s):
mp-14326
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; Tm11(Ni10C)6; C-Ni-Tm
OSTI Identifier:
1190613
DOI:
10.17188/1190613

Citation Formats

The Materials Project. Materials Data on Tm11(Ni10C)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190613.
The Materials Project. Materials Data on Tm11(Ni10C)6 by Materials Project. United States. doi:10.17188/1190613.
The Materials Project. 2020. "Materials Data on Tm11(Ni10C)6 by Materials Project". United States. doi:10.17188/1190613. https://www.osti.gov/servlets/purl/1190613. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1190613,
title = {Materials Data on Tm11(Ni10C)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm11(Ni10C)6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to fifteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.81–2.98 Å. In the second Tm site, Tm is bonded in a distorted linear geometry to twelve Ni and two equivalent C atoms. There are four shorter (3.10 Å) and eight longer (3.26 Å) Tm–Ni bond lengths. Both Tm–C bond lengths are 2.58 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Tm and twelve Ni atoms. There are four shorter (2.58 Å) and eight longer (2.62 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a single-bond geometry to four equivalent Tm and one C atom. The Ni–C bond length is 1.84 Å. In the third Ni site, Ni is bonded to three Tm and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiTm3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.31–2.49 Å. In the fourth Ni site, Ni is bonded in a single-bond geometry to two equivalent Tm, five Ni, and one C atom. The Ni–C bond length is 1.87 Å. C is bonded in a 6-coordinate geometry to one Tm and five Ni atoms.},
doi = {10.17188/1190613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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