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Title: Materials Data on TbNi3Sn2 by Materials Project

Abstract

TbNi3Sn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to nine Ni and nine Sn atoms. There are six shorter (3.18 Å) and three longer (3.27 Å) Tb–Ni bond lengths. There are six shorter (3.43 Å) and three longer (3.53 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Sn atoms. There are six shorter (3.00 Å) and six longer (3.49 Å) Tb–Ni bond lengths. All Tb–Sn bond lengths are 3.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three Tb, three Ni, and four Sn atoms. There are two shorter (2.69 Å) and one longer (2.71 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.49–2.60 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Tb, four equivalent Ni, and four Sn atoms. There are two shorter (2.58 Å) and two longer (2.67 Å) Ni–Sn bond lengths. There are two inequivalent Snmore » sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four Tb and six Ni atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four equivalent Tb and six Ni atoms.« less

Publication Date:
Other Number(s):
mp-1217546
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; TbNi3Sn2; Ni-Sn-Tb
OSTI Identifier:
1672832
DOI:
https://doi.org/10.17188/1672832

Citation Formats

The Materials Project. Materials Data on TbNi3Sn2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672832.
The Materials Project. Materials Data on TbNi3Sn2 by Materials Project. United States. doi:https://doi.org/10.17188/1672832
The Materials Project. 2019. "Materials Data on TbNi3Sn2 by Materials Project". United States. doi:https://doi.org/10.17188/1672832. https://www.osti.gov/servlets/purl/1672832. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672832,
title = {Materials Data on TbNi3Sn2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbNi3Sn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to nine Ni and nine Sn atoms. There are six shorter (3.18 Å) and three longer (3.27 Å) Tb–Ni bond lengths. There are six shorter (3.43 Å) and three longer (3.53 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Sn atoms. There are six shorter (3.00 Å) and six longer (3.49 Å) Tb–Ni bond lengths. All Tb–Sn bond lengths are 3.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three Tb, three Ni, and four Sn atoms. There are two shorter (2.69 Å) and one longer (2.71 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.49–2.60 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Tb, four equivalent Ni, and four Sn atoms. There are two shorter (2.58 Å) and two longer (2.67 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four Tb and six Ni atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four equivalent Tb and six Ni atoms.},
doi = {10.17188/1672832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}