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Title: Materials Data on Er2(Ga3Co)3 by Materials Project

Abstract

Er2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.95–3.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.48–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.50–2.55 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.78 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.71 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Co, and five Ga atoms. There are one shorter (2.69 Å) and two longer (2.75more » Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, three Co, and five Ga atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) Ga–Ga bond lengths.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-866685
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; Er2(Ga3Co)3; Co-Er-Ga
OSTI Identifier:
1311662
DOI:
10.17188/1311662

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Er2(Ga3Co)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311662.
Persson, Kristin, & Project, Materials. Materials Data on Er2(Ga3Co)3 by Materials Project. United States. doi:10.17188/1311662.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Er2(Ga3Co)3 by Materials Project". United States. doi:10.17188/1311662. https://www.osti.gov/servlets/purl/1311662. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1311662,
title = {Materials Data on Er2(Ga3Co)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Er2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.95–3.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.48–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.50–2.55 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.78 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.71 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Co, and five Ga atoms. There are one shorter (2.69 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Er, three Co, and five Ga atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) Ga–Ga bond lengths.},
doi = {10.17188/1311662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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