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Title: Materials Data on TbNi3 by Materials Project

Abstract

TbNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–3.09 Å. In the second Tb site, Tb is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.86 Å) and twelve longer (3.18 Å) Tb–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Tb and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiTb5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.52 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Ni atoms. In the third Ni site, Ni is bonded to six equivalent Tb and six equivalent Ni atoms to form NiTb6Ni6 cuboctahedra that share corners with twelve equivalent NiTb5Ni7 cuboctahedra, edges with six equivalent NiTb6Ni6 cuboctahedra, and faces with eighteen equivalent NiTb5Ni7 cuboctahedra.

Publication Date:
Other Number(s):
mp-1102054
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; TbNi3; Ni-Tb
OSTI Identifier:
1665619
DOI:
https://doi.org/10.17188/1665619

Citation Formats

The Materials Project. Materials Data on TbNi3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1665619.
The Materials Project. Materials Data on TbNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1665619
The Materials Project. 2018. "Materials Data on TbNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1665619. https://www.osti.gov/servlets/purl/1665619. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1665619,
title = {Materials Data on TbNi3 by Materials Project},
author = {The Materials Project},
abstractNote = {TbNi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–3.09 Å. In the second Tb site, Tb is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.86 Å) and twelve longer (3.18 Å) Tb–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Tb and seven Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiTb5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.52 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Ni atoms. In the third Ni site, Ni is bonded to six equivalent Tb and six equivalent Ni atoms to form NiTb6Ni6 cuboctahedra that share corners with twelve equivalent NiTb5Ni7 cuboctahedra, edges with six equivalent NiTb6Ni6 cuboctahedra, and faces with eighteen equivalent NiTb5Ni7 cuboctahedra.},
doi = {10.17188/1665619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}