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Title: Materials Data on GdGaI by Materials Project

Abstract

GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.

Publication Date:
Other Number(s):
mp-1207031
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; GdGaI; Ga-Gd-I
OSTI Identifier:
1723079
DOI:
https://doi.org/10.17188/1723079

Citation Formats

The Materials Project. Materials Data on GdGaI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723079.
The Materials Project. Materials Data on GdGaI by Materials Project. United States. doi:https://doi.org/10.17188/1723079
The Materials Project. 2020. "Materials Data on GdGaI by Materials Project". United States. doi:https://doi.org/10.17188/1723079. https://www.osti.gov/servlets/purl/1723079. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723079,
title = {Materials Data on GdGaI by Materials Project},
author = {The Materials Project},
abstractNote = {GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.},
doi = {10.17188/1723079},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}