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Title: Materials Data on NdCo4B by Materials Project

Abstract

NdCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.94 Å) and twelve longer (3.23 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.93 Å. All Nd–B bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. All Co–Co bond lengths are 2.47 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four Nd, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3689
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; NdCo4B; B-Co-Nd
OSTI Identifier:
1207260
DOI:
10.17188/1207260

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdCo4B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207260.
Persson, Kristin, & Project, Materials. Materials Data on NdCo4B by Materials Project. United States. doi:10.17188/1207260.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdCo4B by Materials Project". United States. doi:10.17188/1207260. https://www.osti.gov/servlets/purl/1207260. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207260,
title = {Materials Data on NdCo4B by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.94 Å) and twelve longer (3.23 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.93 Å. All Nd–B bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. All Co–Co bond lengths are 2.47 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four Nd, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.},
doi = {10.17188/1207260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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