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Title: Materials Data on TbGa2Co3 by Materials Project

Abstract

TbCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.22 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 3.08 Å. In the second Tb site, Tb is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Tb–Co bond lengths are 2.85 Å. All Tb–Ga bond lengths are 3.42 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Tb, two equivalent Co, and four equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. All Co–Ga bond lengths are 2.42 Å. In the second Co site, Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoTb4Ga4Co4 cuboctahedra. All Co–Ga bond lengths are 2.53 Å. Ga is bonded in a 12-coordinate geometry to four Tb, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-644529
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; TbGa2Co3; Co-Ga-Tb
OSTI Identifier:
1280463
DOI:
10.17188/1280463

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TbGa2Co3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280463.
Persson, Kristin, & Project, Materials. Materials Data on TbGa2Co3 by Materials Project. United States. doi:10.17188/1280463.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on TbGa2Co3 by Materials Project". United States. doi:10.17188/1280463. https://www.osti.gov/servlets/purl/1280463. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1280463,
title = {Materials Data on TbGa2Co3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TbCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.22 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 3.08 Å. In the second Tb site, Tb is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Tb–Co bond lengths are 2.85 Å. All Tb–Ga bond lengths are 3.42 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three Tb, two equivalent Co, and four equivalent Ga atoms. Both Co–Co bond lengths are 2.48 Å. All Co–Ga bond lengths are 2.42 Å. In the second Co site, Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoTb4Ga4Co4 cuboctahedra. All Co–Ga bond lengths are 2.53 Å. Ga is bonded in a 12-coordinate geometry to four Tb, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å.},
doi = {10.17188/1280463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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