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Title: Materials Data on ThGa4Co by Materials Project

Abstract

ThCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Th–Co bond lengths are 3.25 Å. There are a spread of Th–Ga bond distances ranging from 3.03–3.36 Å. Co is bonded in a 7-coordinate geometry to two equivalent Th and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Th and six Ga atoms. There are four shorter (2.93 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Th, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Th, one Co, and eight Ga atoms.

Authors:
Publication Date:
Other Number(s):
mp-22767
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; ThGa4Co; Co-Ga-Th
OSTI Identifier:
1198960
DOI:
https://doi.org/10.17188/1198960

Citation Formats

The Materials Project. Materials Data on ThGa4Co by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1198960.
The Materials Project. Materials Data on ThGa4Co by Materials Project. United States. doi:https://doi.org/10.17188/1198960
The Materials Project. 2017. "Materials Data on ThGa4Co by Materials Project". United States. doi:https://doi.org/10.17188/1198960. https://www.osti.gov/servlets/purl/1198960. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1198960,
title = {Materials Data on ThGa4Co by Materials Project},
author = {The Materials Project},
abstractNote = {ThCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Th–Co bond lengths are 3.25 Å. There are a spread of Th–Ga bond distances ranging from 3.03–3.36 Å. Co is bonded in a 7-coordinate geometry to two equivalent Th and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Th and six Ga atoms. There are four shorter (2.93 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Th, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Th, one Co, and eight Ga atoms.},
doi = {10.17188/1198960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}