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Title: Materials Data on Gd2Co17 by Materials Project

Abstract

Gd2Co17 crystallizes in the orthorhombic Cmcm 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 Co atoms. There are a spread of Gd–Co bond distances ranging from 2.95–3.27 Å. In the second Gd site, Gd is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Gd–Co bond distances ranging from 2.89–3.14 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Gd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.66 Å. In the second Co site, Co is bonded to two equivalent Gd and ten Co atoms to form a mixture of corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.41 Å. In the third Co site, Co is bonded to two equivalent Gd and ten Co atoms to form a mixture of corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.41 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded tomore » two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.56 Å. In the fifth Co site, Co is bonded to two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.56 Å. In the sixth Co site, Co is bonded to two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.56 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to three Gd and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.43 Å. In the eighth Co site, Co is bonded to three Gd and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd3Co9 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1201816
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; Gd2Co17; Co-Gd
OSTI Identifier:
1749405
DOI:
https://doi.org/10.17188/1749405

Citation Formats

The Materials Project. Materials Data on Gd2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749405.
The Materials Project. Materials Data on Gd2Co17 by Materials Project. United States. doi:https://doi.org/10.17188/1749405
The Materials Project. 2020. "Materials Data on Gd2Co17 by Materials Project". United States. doi:https://doi.org/10.17188/1749405. https://www.osti.gov/servlets/purl/1749405. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1749405,
title = {Materials Data on Gd2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Co17 crystallizes in the orthorhombic Cmcm 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 Co atoms. There are a spread of Gd–Co bond distances ranging from 2.95–3.27 Å. In the second Gd site, Gd is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Gd–Co bond distances ranging from 2.89–3.14 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Gd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.66 Å. In the second Co site, Co is bonded to two equivalent Gd and ten Co atoms to form a mixture of corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.41 Å. In the third Co site, Co is bonded to two equivalent Gd and ten Co atoms to form a mixture of corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.41 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.56 Å. In the fifth Co site, Co is bonded to two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.56 Å. In the sixth Co site, Co is bonded to two Gd and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd2Co10 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.56 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to three Gd and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.43 Å. In the eighth Co site, Co is bonded to three Gd and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoGd3Co9 cuboctahedra.},
doi = {10.17188/1749405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}