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Title: Materials Data on Gd4InIr by Materials Project

Abstract

Gd4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Gd–Ir bond lengths are 3.51 Å. Both Gd–In bond lengths are 3.29 Å. In the second Gd site, Gd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Gd–Ir bond lengths are 2.84 Å. Both Gd–In bond lengths are 3.53 Å. In the third Gd site, Gd is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Gd–Ir bond lengths are 2.88 Å. All Gd–In bond lengths are 3.51 Å. Ir is bonded in a 6-coordinate geometry to nine Gd atoms. In is bonded to nine Gd and three equivalent In atoms to form a mixture of distorted face and corner-sharing InGd9In3 cuboctahedra. All In–In bond lengths are 3.22 Å.

Authors:
Publication Date:
Other Number(s):
mp-1192794
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; Gd4InIr; Gd-In-Ir
OSTI Identifier:
1696112
DOI:
https://doi.org/10.17188/1696112

Citation Formats

The Materials Project. Materials Data on Gd4InIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696112.
The Materials Project. Materials Data on Gd4InIr by Materials Project. United States. doi:https://doi.org/10.17188/1696112
The Materials Project. 2020. "Materials Data on Gd4InIr by Materials Project". United States. doi:https://doi.org/10.17188/1696112. https://www.osti.gov/servlets/purl/1696112. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1696112,
title = {Materials Data on Gd4InIr by Materials Project},
author = {The Materials Project},
abstractNote = {Gd4IrIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent In atoms. Both Gd–Ir bond lengths are 3.51 Å. Both Gd–In bond lengths are 3.29 Å. In the second Gd site, Gd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Gd–Ir bond lengths are 2.84 Å. Both Gd–In bond lengths are 3.53 Å. In the third Gd site, Gd is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Gd–Ir bond lengths are 2.88 Å. All Gd–In bond lengths are 3.51 Å. Ir is bonded in a 6-coordinate geometry to nine Gd atoms. In is bonded to nine Gd and three equivalent In atoms to form a mixture of distorted face and corner-sharing InGd9In3 cuboctahedra. All In–In bond lengths are 3.22 Å.},
doi = {10.17188/1696112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}