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Title: Materials Data on Er3(Co2Sn)4 by Materials Project

Abstract

Er3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Er–Co bond distances ranging from 3.02–3.37 Å. There are a spread of Er–Sn bond distances ranging from 3.15–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Er and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.63 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Er, seven Co, and three equivalent Sn atoms to form distorted CoEr2Co7Sn3 cuboctahedra that share corners with four equivalent CoEr2Co7Sn3 cuboctahedra, corners with five equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.62 Å) and two longer (2.64 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Er, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å.more » There are a spread of Co–Sn bond distances ranging from 2.64–2.78 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Er and eight Co atoms to form distorted SnEr4Co8 cuboctahedra that share corners with four equivalent SnEr4Co8 cuboctahedra, corners with six CoEr2Co7Sn3 cuboctahedra, faces with eight CoEr2Co7Sn3 cuboctahedra, and faces with eight equivalent SnEr4Co8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1213031
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; Er3(Co2Sn)4; Co-Er-Sn
OSTI Identifier:
1705910
DOI:
10.17188/1705910

Citation Formats

The Materials Project. Materials Data on Er3(Co2Sn)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705910.
The Materials Project. Materials Data on Er3(Co2Sn)4 by Materials Project. United States. doi:10.17188/1705910.
The Materials Project. 2019. "Materials Data on Er3(Co2Sn)4 by Materials Project". United States. doi:10.17188/1705910. https://www.osti.gov/servlets/purl/1705910. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705910,
title = {Materials Data on Er3(Co2Sn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Er–Co bond distances ranging from 3.02–3.37 Å. There are a spread of Er–Sn bond distances ranging from 3.15–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Er and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.63 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Er, seven Co, and three equivalent Sn atoms to form distorted CoEr2Co7Sn3 cuboctahedra that share corners with four equivalent CoEr2Co7Sn3 cuboctahedra, corners with five equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.62 Å) and two longer (2.64 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Er, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.64–2.78 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Er and eight Co atoms to form distorted SnEr4Co8 cuboctahedra that share corners with four equivalent SnEr4Co8 cuboctahedra, corners with six CoEr2Co7Sn3 cuboctahedra, faces with eight CoEr2Co7Sn3 cuboctahedra, and faces with eight equivalent SnEr4Co8 cuboctahedra.},
doi = {10.17188/1705910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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