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Title: Materials Data on Nd2Co7 by Materials Project

Abstract

Nd2Co7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.21 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.92–3.27 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. There are three shorter (2.44 Å) and three longer (2.48 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Nd and six equivalent Co atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent CoNd5Co7 cuboctahedra, edges with six equivalent CoNd6Co6 cuboctahedra, and faces with eighteen equivalent CoNd5Co7 cuboctahedra. All Co–Co bond lengths are 2.61 Å. In the third Co site, Co is bonded to four equivalent Nd and eight Co atoms to form CoNd4Co8 cuboctahedra that share corners with sixteen CoNd5Co7 cuboctahedra, edges with ten CoNd5Co7 cuboctahedra, and faces with ten CoNd4Co8more » cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.53 Å. In the fourth Co site, Co is bonded to five Nd and seven Co atoms to form distorted CoNd5Co7 cuboctahedra that share corners with seventeen CoNd6Co6 cuboctahedra, edges with eight CoNd4Co8 cuboctahedra, and faces with fourteen CoNd6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.54 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms.« less

Publication Date:
Other Number(s):
mp-1198482
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; Nd2Co7; Co-Nd
OSTI Identifier:
1655933
DOI:
https://doi.org/10.17188/1655933

Citation Formats

The Materials Project. Materials Data on Nd2Co7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655933.
The Materials Project. Materials Data on Nd2Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1655933
The Materials Project. 2019. "Materials Data on Nd2Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1655933. https://www.osti.gov/servlets/purl/1655933. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655933,
title = {Materials Data on Nd2Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Co7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.21 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.92–3.27 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. There are three shorter (2.44 Å) and three longer (2.48 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Nd and six equivalent Co atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent CoNd5Co7 cuboctahedra, edges with six equivalent CoNd6Co6 cuboctahedra, and faces with eighteen equivalent CoNd5Co7 cuboctahedra. All Co–Co bond lengths are 2.61 Å. In the third Co site, Co is bonded to four equivalent Nd and eight Co atoms to form CoNd4Co8 cuboctahedra that share corners with sixteen CoNd5Co7 cuboctahedra, edges with ten CoNd5Co7 cuboctahedra, and faces with ten CoNd4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.53 Å. In the fourth Co site, Co is bonded to five Nd and seven Co atoms to form distorted CoNd5Co7 cuboctahedra that share corners with seventeen CoNd6Co6 cuboctahedra, edges with eight CoNd4Co8 cuboctahedra, and faces with fourteen CoNd6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.54 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms.},
doi = {10.17188/1655933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}