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Title: Materials Data on Gd2Ni17 by Materials Project

Abstract

Gd2Ni17 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 eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.92–3.22 Å. In the second Gd site, Gd is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two Gd and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.70 Å. In the second Ni site, Ni is bonded to three Gd and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd3Ni9 cuboctahedra. There are four shorter (2.40 Å) and one longer (2.60 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Gd and ten Ni atoms to form a mixture of edge, face, and corner-sharing NiGd2Ni10 cuboctahedra. Both Ni–Ni bond lengths are 2.53 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to onemore » Gd and thirteen Ni atoms. The Ni–Ni bond length is 2.37 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-580102
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; Gd2Ni17; Gd-Ni
OSTI Identifier:
1276752
DOI:
https://doi.org/10.17188/1276752

Citation Formats

The Materials Project. Materials Data on Gd2Ni17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276752.
The Materials Project. Materials Data on Gd2Ni17 by Materials Project. United States. doi:https://doi.org/10.17188/1276752
The Materials Project. 2020. "Materials Data on Gd2Ni17 by Materials Project". United States. doi:https://doi.org/10.17188/1276752. https://www.osti.gov/servlets/purl/1276752. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1276752,
title = {Materials Data on Gd2Ni17 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Ni17 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 eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.92–3.22 Å. In the second Gd site, Gd is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two Gd and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.70 Å. In the second Ni site, Ni is bonded to three Gd and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd3Ni9 cuboctahedra. There are four shorter (2.40 Å) and one longer (2.60 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Gd and ten Ni atoms to form a mixture of edge, face, and corner-sharing NiGd2Ni10 cuboctahedra. Both Ni–Ni bond lengths are 2.53 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Gd and thirteen Ni atoms. The Ni–Ni bond length is 2.37 Å.},
doi = {10.17188/1276752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}