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Title: Materials Data on Ce2(Ga3Ru)3 by Materials Project

Abstract

Ce2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.08–3.14 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.60–2.64 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are two shorter (2.61 Å) and six longer (2.63 Å) Ru–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ru, and six Ga atoms. All Ga–Ga bond lengths are 2.78 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.97 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Ru, and five Ga atoms. There are one shorter (2.73 Å) and two longermore » (2.88 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.77 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1214327
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; Ce2(Ga3Ru)3; Ce-Ga-Ru
OSTI Identifier:
1732733
DOI:
https://doi.org/10.17188/1732733

Citation Formats

The Materials Project. Materials Data on Ce2(Ga3Ru)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732733.
The Materials Project. Materials Data on Ce2(Ga3Ru)3 by Materials Project. United States. doi:https://doi.org/10.17188/1732733
The Materials Project. 2020. "Materials Data on Ce2(Ga3Ru)3 by Materials Project". United States. doi:https://doi.org/10.17188/1732733. https://www.osti.gov/servlets/purl/1732733. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1732733,
title = {Materials Data on Ce2(Ga3Ru)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.08–3.14 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.60–2.64 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are two shorter (2.61 Å) and six longer (2.63 Å) Ru–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ru, and six Ga atoms. All Ga–Ga bond lengths are 2.78 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Ce, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.97 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, three Ru, and five Ga atoms. There are one shorter (2.73 Å) and two longer (2.88 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ce, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.77 Å.},
doi = {10.17188/1732733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}