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Title: Materials Data on Nd3Co11B4 by Materials Project

Abstract

Nd3Co11B4 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 12-coordinate geometry to two Nd, twelve Co, and six equivalent B atoms. There are one shorter (3.10 Å) and one longer (3.32 Å) Nd–Nd bond lengths. There are six shorter (2.89 Å) and six longer (3.00 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Nd and six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.48 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. Bmore » is bonded in a 6-coordinate geometry to three equivalent Nd and six Co atoms.« less

Publication Date:
Other Number(s):
mp-5568
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; Nd3Co11B4; B-Co-Nd
OSTI Identifier:
1269545
DOI:
10.17188/1269545

Citation Formats

The Materials Project. Materials Data on Nd3Co11B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269545.
The Materials Project. Materials Data on Nd3Co11B4 by Materials Project. United States. doi:10.17188/1269545.
The Materials Project. 2020. "Materials Data on Nd3Co11B4 by Materials Project". United States. doi:10.17188/1269545. https://www.osti.gov/servlets/purl/1269545. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269545,
title = {Materials Data on Nd3Co11B4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Co11B4 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 12-coordinate geometry to two Nd, twelve Co, and six equivalent B atoms. There are one shorter (3.10 Å) and one longer (3.32 Å) Nd–Nd bond lengths. There are six shorter (2.89 Å) and six longer (3.00 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Nd and six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.48 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Nd and six Co atoms.},
doi = {10.17188/1269545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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