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Title: Materials Data on Yb3(Co2Sn)4 by Materials Project

Abstract

Yb3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Yb–Co bond distances ranging from 3.08–3.54 Å. There are a spread of Yb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Yb, four Co, and four Sn atoms. There are a spread of Co–Co bond distances ranging from 2.46–2.58 Å. There are a spread of Co–Sn bond distances ranging from 2.69–2.83 Å. In the second Co site, Co is bonded to two equivalent Yb, seven Co, and three equivalent Sn atoms to form distorted CoYb2Co7Sn3 cuboctahedra that share corners with four equivalent CoYb2Co7Sn3 cuboctahedra, corners with five equivalent SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. There are two shorter (2.66 Å) and one longer (2.68 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to six equivalent Yb andmore » four Sn atoms. There are three shorter (2.50 Å) and one longer (2.56 Å) Co–Sn bond lengths. 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 SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Yb and eight Co atoms to form distorted SnYb4Co8 cuboctahedra that share corners with four equivalent SnYb4Co8 cuboctahedra, corners with six CoYb2Co7Sn3 cuboctahedra, faces with eight CoYb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnYb4Co8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Co atoms.« less

Publication Date:
Other Number(s):
mp-1207700
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; Yb3(Co2Sn)4; Co-Sn-Yb
OSTI Identifier:
1705764
DOI:
10.17188/1705764

Citation Formats

The Materials Project. Materials Data on Yb3(Co2Sn)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705764.
The Materials Project. Materials Data on Yb3(Co2Sn)4 by Materials Project. United States. doi:10.17188/1705764.
The Materials Project. 2020. "Materials Data on Yb3(Co2Sn)4 by Materials Project". United States. doi:10.17188/1705764. https://www.osti.gov/servlets/purl/1705764. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1705764,
title = {Materials Data on Yb3(Co2Sn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Yb–Co bond distances ranging from 3.08–3.54 Å. There are a spread of Yb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Yb, four Co, and four Sn atoms. There are a spread of Co–Co bond distances ranging from 2.46–2.58 Å. There are a spread of Co–Sn bond distances ranging from 2.69–2.83 Å. In the second Co site, Co is bonded to two equivalent Yb, seven Co, and three equivalent Sn atoms to form distorted CoYb2Co7Sn3 cuboctahedra that share corners with four equivalent CoYb2Co7Sn3 cuboctahedra, corners with five equivalent SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. There are two shorter (2.66 Å) and one longer (2.68 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to six equivalent Yb and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.56 Å) Co–Sn bond lengths. 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 SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Yb and eight Co atoms to form distorted SnYb4Co8 cuboctahedra that share corners with four equivalent SnYb4Co8 cuboctahedra, corners with six CoYb2Co7Sn3 cuboctahedra, faces with eight CoYb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnYb4Co8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Co atoms.},
doi = {10.17188/1705764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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