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Title: Materials Data on GdH3 by Materials Project

Abstract

GdH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Gd3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Gd–H bond distances ranging from 2.16–2.52 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Gd3+ atoms. In the second H1- site, H1- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted edge, face, and corner-sharing HGd4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Gd3+ atoms.

Publication Date:
Other Number(s):
mp-505686
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; GdH3; Gd-H
OSTI Identifier:
1262698
DOI:
https://doi.org/10.17188/1262698

Citation Formats

The Materials Project. Materials Data on GdH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262698.
The Materials Project. Materials Data on GdH3 by Materials Project. United States. doi:https://doi.org/10.17188/1262698
The Materials Project. 2020. "Materials Data on GdH3 by Materials Project". United States. doi:https://doi.org/10.17188/1262698. https://www.osti.gov/servlets/purl/1262698. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262698,
title = {Materials Data on GdH3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Gd3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Gd–H bond distances ranging from 2.16–2.52 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Gd3+ atoms. In the second H1- site, H1- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted edge, face, and corner-sharing HGd4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Gd3+ atoms.},
doi = {10.17188/1262698},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}