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Title: Materials Data on Nd5Co19B6 by Materials Project

Abstract

Nd5Co19B6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.89 Å) and six longer (2.99 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the third 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 2.96 Å. There are four inequivalent Co sites. In the first 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 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. All Co–Co bond lengths are 2.47 Å. In the third Co site, Co is bonded in amore » distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the fourth 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. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.« less

Publication Date:
Other Number(s):
mp-569415
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; Nd5Co19B6; B-Co-Nd
OSTI Identifier:
1275088
DOI:
10.17188/1275088

Citation Formats

The Materials Project. Materials Data on Nd5Co19B6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275088.
The Materials Project. Materials Data on Nd5Co19B6 by Materials Project. United States. doi:10.17188/1275088.
The Materials Project. 2020. "Materials Data on Nd5Co19B6 by Materials Project". United States. doi:10.17188/1275088. https://www.osti.gov/servlets/purl/1275088. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275088,
title = {Materials Data on Nd5Co19B6 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5Co19B6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.89 Å) and six longer (2.99 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the third 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 2.96 Å. There are four inequivalent Co sites. In the first 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 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. All Co–Co bond lengths are 2.47 Å. In the third 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–B bond lengths are 2.05 Å. In the fourth 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. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.},
doi = {10.17188/1275088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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