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Title: Materials Data on Ta2Co by Materials Project

Abstract

Ta2Co crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are five inequivalent Ta sites. In the first Ta site, Ta is bonded to six Ta and six equivalent Co atoms to form TaTa6Co6 cuboctahedra that share corners with eighteen equivalent CoTa9Co3 cuboctahedra, edges with eighteen TaTa6Co6 cuboctahedra, faces with six equivalent CoTa9Co3 cuboctahedra, and faces with fourteen TaTa6Co6 cuboctahedra. All Ta–Ta bond lengths are 2.84 Å. All Ta–Co bond lengths are 2.87 Å. In the second Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are four shorter (2.81 Å) and two longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. In the third Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra.more » All Ta–Co bond lengths are 2.77 Å. In the fourth Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are four shorter (2.81 Å) and two longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. In the fifth Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are two shorter (2.81 Å) and one longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. Co is bonded to nine Ta and three equivalent Co atoms to form distorted CoTa9Co3 cuboctahedra that share corners with nine equivalent TaTa6Co6 cuboctahedra, corners with nine equivalent CoTa9Co3 cuboctahedra, edges with six equivalent CoTa9Co3 cuboctahedra, edges with twelve TaTa8Co4 cuboctahedra, faces with five equivalent CoTa9Co3 cuboctahedra, and faces with fifteen TaTa6Co6 cuboctahedra. All Co–Co bond lengths are 2.87 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1102370
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; Ta2Co; Co-Ta
OSTI Identifier:
1732120
DOI:
https://doi.org/10.17188/1732120

Citation Formats

The Materials Project. Materials Data on Ta2Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732120.
The Materials Project. Materials Data on Ta2Co by Materials Project. United States. doi:https://doi.org/10.17188/1732120
The Materials Project. 2020. "Materials Data on Ta2Co by Materials Project". United States. doi:https://doi.org/10.17188/1732120. https://www.osti.gov/servlets/purl/1732120. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732120,
title = {Materials Data on Ta2Co by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2Co crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are five inequivalent Ta sites. In the first Ta site, Ta is bonded to six Ta and six equivalent Co atoms to form TaTa6Co6 cuboctahedra that share corners with eighteen equivalent CoTa9Co3 cuboctahedra, edges with eighteen TaTa6Co6 cuboctahedra, faces with six equivalent CoTa9Co3 cuboctahedra, and faces with fourteen TaTa6Co6 cuboctahedra. All Ta–Ta bond lengths are 2.84 Å. All Ta–Co bond lengths are 2.87 Å. In the second Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are four shorter (2.81 Å) and two longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. In the third Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. All Ta–Co bond lengths are 2.77 Å. In the fourth Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are four shorter (2.81 Å) and two longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. In the fifth Ta site, Ta is bonded to eight Ta and four equivalent Co atoms to form distorted TaTa8Co4 cuboctahedra that share corners with twelve TaTa8Co4 cuboctahedra, edges with eight equivalent CoTa9Co3 cuboctahedra, edges with sixteen TaTa6Co6 cuboctahedra, faces with eight equivalent CoTa9Co3 cuboctahedra, and faces with ten TaTa6Co6 cuboctahedra. There are two shorter (2.81 Å) and one longer (2.99 Å) Ta–Ta bond lengths. All Ta–Co bond lengths are 2.77 Å. Co is bonded to nine Ta and three equivalent Co atoms to form distorted CoTa9Co3 cuboctahedra that share corners with nine equivalent TaTa6Co6 cuboctahedra, corners with nine equivalent CoTa9Co3 cuboctahedra, edges with six equivalent CoTa9Co3 cuboctahedra, edges with twelve TaTa8Co4 cuboctahedra, faces with five equivalent CoTa9Co3 cuboctahedra, and faces with fifteen TaTa6Co6 cuboctahedra. All Co–Co bond lengths are 2.87 Å.},
doi = {10.17188/1732120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}