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Title: Materials Data on Gd2(Ga3Ir)3 by Materials Project

Abstract

Gd2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Gd–Ga bond distances ranging from 3.04–3.15 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.59–2.65 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.57–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Gd, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.94 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, three Ir, and five Ga atoms. There are one shorter (2.78 Å) and two longer (2.85 Å)more » Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.« less

Publication Date:
Other Number(s):
mp-1213497
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; Gd2(Ga3Ir)3; Ga-Gd-Ir
OSTI Identifier:
1744031
DOI:
https://doi.org/10.17188/1744031

Citation Formats

The Materials Project. Materials Data on Gd2(Ga3Ir)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744031.
The Materials Project. Materials Data on Gd2(Ga3Ir)3 by Materials Project. United States. doi:https://doi.org/10.17188/1744031
The Materials Project. 2020. "Materials Data on Gd2(Ga3Ir)3 by Materials Project". United States. doi:https://doi.org/10.17188/1744031. https://www.osti.gov/servlets/purl/1744031. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744031,
title = {Materials Data on Gd2(Ga3Ir)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Gd–Ga bond distances ranging from 3.04–3.15 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.59–2.65 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.57–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Gd, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.94 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, three Ir, and five Ga atoms. There are one shorter (2.78 Å) and two longer (2.85 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.},
doi = {10.17188/1744031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}