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Title: Materials Data on Y3(Co2Sn)4 by Materials Project

Abstract

Y3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eight Co and six Sn atoms. There are a spread of Y–Co bond distances ranging from 3.06–3.49 Å. There are a spread of Y–Sn bond distances ranging from 3.19–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, seven Co, and three equivalent Sn atoms to form a mixture of distorted corner and face-sharing CoY2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.61 Å. There are one shorter (2.64 Å) and two longer (2.67 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to nine Co and three equivalent Sn atoms to form face-sharing CoCo9Sn3 cuboctahedra. All Co–Co bond lengths are 2.49 Å. All Co–Sn bond lengths are 2.71 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six equivalent Y and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.78 Å) Co–Sn bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to fourmore » equivalent Y, four Co, and four Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.70–2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Y and eight Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Y and four Co atoms.« less

Publication Date:
Other Number(s):
mp-22379
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; Y3(Co2Sn)4; Co-Sn-Y
OSTI Identifier:
1197598
DOI:
10.17188/1197598

Citation Formats

The Materials Project. Materials Data on Y3(Co2Sn)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197598.
The Materials Project. Materials Data on Y3(Co2Sn)4 by Materials Project. United States. doi:10.17188/1197598.
The Materials Project. 2020. "Materials Data on Y3(Co2Sn)4 by Materials Project". United States. doi:10.17188/1197598. https://www.osti.gov/servlets/purl/1197598. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1197598,
title = {Materials Data on Y3(Co2Sn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eight Co and six Sn atoms. There are a spread of Y–Co bond distances ranging from 3.06–3.49 Å. There are a spread of Y–Sn bond distances ranging from 3.19–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, seven Co, and three equivalent Sn atoms to form a mixture of distorted corner and face-sharing CoY2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.61 Å. There are one shorter (2.64 Å) and two longer (2.67 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to nine Co and three equivalent Sn atoms to form face-sharing CoCo9Sn3 cuboctahedra. All Co–Co bond lengths are 2.49 Å. All Co–Sn bond lengths are 2.71 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six equivalent Y and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.78 Å) Co–Sn bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to four equivalent Y, four Co, and four Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.70–2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Y and eight Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Y and four Co atoms.},
doi = {10.17188/1197598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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