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Title: Materials Data on Gd5CuBi3 by Materials Project

Abstract

Gd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Both Gd–Cu bond lengths are 2.90 Å. There are a spread of Gd–Bi bond distances ranging from 3.21–3.49 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Gd–Bi bond lengths are 3.35 Å. Cu is bonded to six equivalent Gd atoms to form face-sharing CuGd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Gd atoms.

Publication Date:
Other Number(s):
mp-581831
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; Gd5CuBi3; Bi-Cu-Gd
OSTI Identifier:
1276901
DOI:
https://doi.org/10.17188/1276901

Citation Formats

The Materials Project. Materials Data on Gd5CuBi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276901.
The Materials Project. Materials Data on Gd5CuBi3 by Materials Project. United States. doi:https://doi.org/10.17188/1276901
The Materials Project. 2020. "Materials Data on Gd5CuBi3 by Materials Project". United States. doi:https://doi.org/10.17188/1276901. https://www.osti.gov/servlets/purl/1276901. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1276901,
title = {Materials Data on Gd5CuBi3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Both Gd–Cu bond lengths are 2.90 Å. There are a spread of Gd–Bi bond distances ranging from 3.21–3.49 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Gd–Bi bond lengths are 3.35 Å. Cu is bonded to six equivalent Gd atoms to form face-sharing CuGd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Gd atoms.},
doi = {10.17188/1276901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}