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Title: Materials Data on Er3Co6Sn5 by Materials Project

Abstract

Er3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted ErCo4Sn8 cuboctahedra that share edges with two equivalent SnEr4Co8 cuboctahedra and faces with two equivalent ErCo4Sn8 cuboctahedra. All Er–Co bond lengths are 2.94 Å. All Er–Sn bond lengths are 3.42 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.93 Å) and four longer (3.20 Å) Er–Co bond lengths. There are a spread of Er–Sn bond distances ranging from 3.12–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Er, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.55 Å. There are two shorter (2.59 Å) and two longer (2.86 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Er, 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 2.55–2.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Er, four Co, and one Sn atom. The Sn–Sn bond length is 3.03 Å. In the second Sn site, Sn is bonded to four equivalent Er and eight Co atoms to form SnEr4Co8 cuboctahedra that share edges with two equivalent ErCo4Sn8 cuboctahedra and faces with two equivalent SnEr4Co8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1212844
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; Er3Co6Sn5; Co-Er-Sn
OSTI Identifier:
1655724
DOI:
https://doi.org/10.17188/1655724

Citation Formats

The Materials Project. Materials Data on Er3Co6Sn5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655724.
The Materials Project. Materials Data on Er3Co6Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1655724
The Materials Project. 2019. "Materials Data on Er3Co6Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1655724. https://www.osti.gov/servlets/purl/1655724. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655724,
title = {Materials Data on Er3Co6Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted ErCo4Sn8 cuboctahedra that share edges with two equivalent SnEr4Co8 cuboctahedra and faces with two equivalent ErCo4Sn8 cuboctahedra. All Er–Co bond lengths are 2.94 Å. All Er–Sn bond lengths are 3.42 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.93 Å) and four longer (3.20 Å) Er–Co bond lengths. There are a spread of Er–Sn bond distances ranging from 3.12–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Er, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.55 Å. There are two shorter (2.59 Å) and two longer (2.86 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Er, 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 2.55–2.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to five Er, four Co, and one Sn atom. The Sn–Sn bond length is 3.03 Å. In the second Sn site, Sn is bonded to four equivalent Er and eight Co atoms to form SnEr4Co8 cuboctahedra that share edges with two equivalent ErCo4Sn8 cuboctahedra and faces with two equivalent SnEr4Co8 cuboctahedra.},
doi = {10.17188/1655724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}