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Title: Materials Data on Tm3Co6Sn5 by Materials Project

Abstract

Tm3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted TmCo4Sn8 cuboctahedra that share edges with two equivalent SnTm4Co8 cuboctahedra and faces with two equivalent TmCo4Sn8 cuboctahedra. All Tm–Co bond lengths are 2.93 Å. All Tm–Sn bond lengths are 3.40 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.92 Å) and four longer (3.19 Å) Tm–Co bond lengths. There are a spread of Tm–Sn bond distances ranging from 3.11–3.27 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Tm, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.54 Å. There are two shorter (2.58 Å) and two longer (2.85 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Tm, three Co, and four Sn atoms. The Co–Co bond length is 2.65 Å. There are a spread of Co–Sn bond distancesmore » ranging from 2.54–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Tm, four Co, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded to four equivalent Tm and eight Co atoms to form SnTm4Co8 cuboctahedra that share edges with two equivalent TmCo4Sn8 cuboctahedra and faces with two equivalent SnTm4Co8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1207963
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tm3Co6Sn5; Co-Sn-Tm
OSTI Identifier:
1681670
DOI:
https://doi.org/10.17188/1681670

Citation Formats

The Materials Project. Materials Data on Tm3Co6Sn5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681670.
The Materials Project. Materials Data on Tm3Co6Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1681670
The Materials Project. 2019. "Materials Data on Tm3Co6Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1681670. https://www.osti.gov/servlets/purl/1681670. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1681670,
title = {Materials Data on Tm3Co6Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted TmCo4Sn8 cuboctahedra that share edges with two equivalent SnTm4Co8 cuboctahedra and faces with two equivalent TmCo4Sn8 cuboctahedra. All Tm–Co bond lengths are 2.93 Å. All Tm–Sn bond lengths are 3.40 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.92 Å) and four longer (3.19 Å) Tm–Co bond lengths. There are a spread of Tm–Sn bond distances ranging from 3.11–3.27 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Tm, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.54 Å. There are two shorter (2.58 Å) and two longer (2.85 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Tm, three Co, and four Sn atoms. The Co–Co bond length is 2.65 Å. There are a spread of Co–Sn bond distances ranging from 2.54–2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Tm, four Co, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded to four equivalent Tm and eight Co atoms to form SnTm4Co8 cuboctahedra that share edges with two equivalent TmCo4Sn8 cuboctahedra and faces with two equivalent SnTm4Co8 cuboctahedra.},
doi = {10.17188/1681670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}