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Title: Materials Data on Tb(GaCo2)4 by Materials Project

Abstract

Tb(Co2Ga)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Co and four equivalent Ga atoms. There are eight shorter (3.11 Å) and eight longer (3.21 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to two equivalent Tb, six Co, and four equivalent Ga atoms. There are four shorter (2.44 Å) and two longer (2.66 Å) Co–Co bond lengths. There are two shorter (2.65 Å) and two longer (2.66 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to two equivalent Tb, six Co, and four equivalent Ga atoms to form a mixture of edge, face, and corner-sharing CoTb2Ga4Co6 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.55 Å. Ga is bonded in a 10-coordinate geometry to one Tb, eight Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.

Authors:
Publication Date:
Other Number(s):
mp-1208588
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; Tb(GaCo2)4; Co-Ga-Tb
OSTI Identifier:
1717106
DOI:
https://doi.org/10.17188/1717106

Citation Formats

The Materials Project. Materials Data on Tb(GaCo2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717106.
The Materials Project. Materials Data on Tb(GaCo2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1717106
The Materials Project. 2020. "Materials Data on Tb(GaCo2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1717106. https://www.osti.gov/servlets/purl/1717106. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1717106,
title = {Materials Data on Tb(GaCo2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(Co2Ga)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to sixteen Co and four equivalent Ga atoms. There are eight shorter (3.11 Å) and eight longer (3.21 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to two equivalent Tb, six Co, and four equivalent Ga atoms. There are four shorter (2.44 Å) and two longer (2.66 Å) Co–Co bond lengths. There are two shorter (2.65 Å) and two longer (2.66 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to two equivalent Tb, six Co, and four equivalent Ga atoms to form a mixture of edge, face, and corner-sharing CoTb2Ga4Co6 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.55 Å. Ga is bonded in a 10-coordinate geometry to one Tb, eight Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.},
doi = {10.17188/1717106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}