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Title: Materials Data on TbSm(Co2Ni3)2 by Materials Project

Abstract

TbSm(Co2Ni3)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. All Tb–Co bond lengths are 2.84 Å. There are eight shorter (3.16 Å) and four longer (3.17 Å) Tb–Ni bond lengths. Sm is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. All Sm–Co bond lengths are 2.84 Å. All Sm–Ni bond lengths are 3.17 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Tb, one Sm, and six Ni atoms. All Co–Ni bond lengths are 2.45 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to one Tb, two equivalent Sm, and six Ni atoms. All Co–Ni bond lengths are 2.45 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ni atoms to form NiTb4Co4Ni4 cuboctahedra that share corners with sixteen NiTb2Sm2Co4Ni4 cuboctahedra, edges with ten NiTb2Sm2Co4Ni4 cuboctahedra, and faces with ten NiTb4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the second Ni site, Nimore » is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ni atoms to form NiSm4Co4Ni4 cuboctahedra that share corners with sixteen NiTb2Sm2Co4Ni4 cuboctahedra, edges with ten NiTb2Sm2Co4Ni4 cuboctahedra, and faces with ten NiSm4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the third Ni site, Ni is bonded to two equivalent Tb, two equivalent Sm, four Co, and four Ni atoms to form a mixture of corner, edge, and face-sharing NiTb2Sm2Co4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.46 Å.« less

Publication Date:
Other Number(s):
mp-1217504
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; TbSm(Co2Ni3)2; Co-Ni-Sm-Tb
OSTI Identifier:
1656015
DOI:
https://doi.org/10.17188/1656015

Citation Formats

The Materials Project. Materials Data on TbSm(Co2Ni3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656015.
The Materials Project. Materials Data on TbSm(Co2Ni3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656015
The Materials Project. 2020. "Materials Data on TbSm(Co2Ni3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656015. https://www.osti.gov/servlets/purl/1656015. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1656015,
title = {Materials Data on TbSm(Co2Ni3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbSm(Co2Ni3)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. All Tb–Co bond lengths are 2.84 Å. There are eight shorter (3.16 Å) and four longer (3.17 Å) Tb–Ni bond lengths. Sm is bonded in a 6-coordinate geometry to six Co and twelve Ni atoms. All Sm–Co bond lengths are 2.84 Å. All Sm–Ni bond lengths are 3.17 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Tb, one Sm, and six Ni atoms. All Co–Ni bond lengths are 2.45 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to one Tb, two equivalent Sm, and six Ni atoms. All Co–Ni bond lengths are 2.45 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ni atoms to form NiTb4Co4Ni4 cuboctahedra that share corners with sixteen NiTb2Sm2Co4Ni4 cuboctahedra, edges with ten NiTb2Sm2Co4Ni4 cuboctahedra, and faces with ten NiTb4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the second Ni site, Ni is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ni atoms to form NiSm4Co4Ni4 cuboctahedra that share corners with sixteen NiTb2Sm2Co4Ni4 cuboctahedra, edges with ten NiTb2Sm2Co4Ni4 cuboctahedra, and faces with ten NiSm4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the third Ni site, Ni is bonded to two equivalent Tb, two equivalent Sm, four Co, and four Ni atoms to form a mixture of corner, edge, and face-sharing NiTb2Sm2Co4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.46 Å.},
doi = {10.17188/1656015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}