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Title: Materials Data on Tb(GaCo)6 by Materials Project

Abstract

Tb(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.20 Å) and eight longer (3.24 Å) Tb–Co bond lengths. There are a spread of Tb–Ga bond distances ranging from 2.81–3.01 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Tb, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Ga6Co4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.53 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.48–2.61 Å. In the second Co site, Co is bonded to two equivalent Tb, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Ga6Co4 cuboctahedra. There are a spread of Co–Ga bond distances ranging from 2.54–2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Tb, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga ismore » bonded in a 8-coordinate geometry to one Tb, six Co, and one Ga atom. The Ga–Ga bond length is 2.63 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Tb, six Co, and three Ga atoms. The Ga–Ga bond length is 2.67 Å.« less

Publication Date:
Other Number(s):
mp-1208567
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; Tb(GaCo)6; Co-Ga-Tb
OSTI Identifier:
1679191
DOI:
https://doi.org/10.17188/1679191

Citation Formats

The Materials Project. Materials Data on Tb(GaCo)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679191.
The Materials Project. Materials Data on Tb(GaCo)6 by Materials Project. United States. doi:https://doi.org/10.17188/1679191
The Materials Project. 2019. "Materials Data on Tb(GaCo)6 by Materials Project". United States. doi:https://doi.org/10.17188/1679191. https://www.osti.gov/servlets/purl/1679191. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1679191,
title = {Materials Data on Tb(GaCo)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.20 Å) and eight longer (3.24 Å) Tb–Co bond lengths. There are a spread of Tb–Ga bond distances ranging from 2.81–3.01 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Tb, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Ga6Co4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.53 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.48–2.61 Å. In the second Co site, Co is bonded to two equivalent Tb, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb2Ga6Co4 cuboctahedra. There are a spread of Co–Ga bond distances ranging from 2.54–2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Tb, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Tb, six Co, and one Ga atom. The Ga–Ga bond length is 2.63 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Tb, six Co, and three Ga atoms. The Ga–Ga bond length is 2.67 Å.},
doi = {10.17188/1679191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}