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Title: Materials Data on GdRh3 by Materials Project

Abstract

GdRh3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve Rh atoms. There are a spread of Gd–Rh bond distances ranging from 3.03–3.33 Å. In the second Gd site, Gd is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.04 Å) and twelve longer (3.42 Å) Gd–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to five Gd and seven Rh atoms to form a mixture of distorted corner, edge, and face-sharing RhGd5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.63–2.70 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Gd and nine Rh atoms. All Rh–Rh bond lengths are 3.04 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Gd and nine Rh atoms. In the fourth Rh site, Rh is bonded to six equivalent Gd and six equivalent Rh atoms to form RhGd6Rh6 cuboctahedra that share corners with twelve equivalent RhGd5Rh7 cuboctahedra, edgesmore » with six equivalent RhGd6Rh6 cuboctahedra, and faces with eighteen equivalent RhGd5Rh7 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1191219
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; GdRh3; Gd-Rh
OSTI Identifier:
1758292
DOI:
https://doi.org/10.17188/1758292

Citation Formats

The Materials Project. Materials Data on GdRh3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758292.
The Materials Project. Materials Data on GdRh3 by Materials Project. United States. doi:https://doi.org/10.17188/1758292
The Materials Project. 2020. "Materials Data on GdRh3 by Materials Project". United States. doi:https://doi.org/10.17188/1758292. https://www.osti.gov/servlets/purl/1758292. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758292,
title = {Materials Data on GdRh3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdRh3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve Rh atoms. There are a spread of Gd–Rh bond distances ranging from 3.03–3.33 Å. In the second Gd site, Gd is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.04 Å) and twelve longer (3.42 Å) Gd–Rh bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to five Gd and seven Rh atoms to form a mixture of distorted corner, edge, and face-sharing RhGd5Rh7 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.63–2.70 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Gd and nine Rh atoms. All Rh–Rh bond lengths are 3.04 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Gd and nine Rh atoms. In the fourth Rh site, Rh is bonded to six equivalent Gd and six equivalent Rh atoms to form RhGd6Rh6 cuboctahedra that share corners with twelve equivalent RhGd5Rh7 cuboctahedra, edges with six equivalent RhGd6Rh6 cuboctahedra, and faces with eighteen equivalent RhGd5Rh7 cuboctahedra.},
doi = {10.17188/1758292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}