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Title: Materials Data on Nd2Co19Si3 by Materials Project

Abstract

Nd2Co19Si3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.04–3.35 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Nd, nine Co, and three Si atoms. There are a spread of Co–Co bond distances ranging from 2.53–2.64 Å. All Co–Si bond lengths are 2.56 Å. In the second Co site, Co is bonded to two equivalent Nd, eight Co, and two Si atoms to form distorted CoNd2Co8Si2 cuboctahedra that share corners with eighteen CoNd2Co8Si2 cuboctahedra, edges with four CoNd2Co9Si cuboctahedra, and faces with twelve CoNd2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.62 Å. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. In the third Co site, Co is bonded to two equivalent Nd, nine Co, and one Si atom to form a mixture of distorted face, edge, and corner-sharing CoNd2Co9Si cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.61 Å. The Co–Si bond length is 2.35 Å. In themore » fourth Co site, Co is bonded to two equivalent Nd, nine Co, and one Si atom to form a mixture of distorted face, edge, and corner-sharing CoNd2Co9Si cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.36–2.49 Å. The Co–Si bond length is 2.36 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, eight Co, and two Si atoms. The Co–Co bond length is 2.57 Å. There are one shorter (2.34 Å) and one longer (2.38 Å) Co–Si bond lengths. In the sixth Co site, Co is bonded to two equivalent Nd and ten Co atoms to form distorted CoNd2Co10 cuboctahedra that share corners with sixteen CoNd2Co8Si2 cuboctahedra, edges with four equivalent CoNd2Co9Si cuboctahedra, and faces with twelve CoNd2Co8Si2 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Co atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to ten Co atoms.« less

Publication Date:
Other Number(s):
mp-1220564
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; Nd2Co19Si3; Co-Nd-Si
OSTI Identifier:
1729070
DOI:
https://doi.org/10.17188/1729070

Citation Formats

The Materials Project. Materials Data on Nd2Co19Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729070.
The Materials Project. Materials Data on Nd2Co19Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1729070
The Materials Project. 2020. "Materials Data on Nd2Co19Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1729070. https://www.osti.gov/servlets/purl/1729070. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729070,
title = {Materials Data on Nd2Co19Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Co19Si3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.04–3.35 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Nd, nine Co, and three Si atoms. There are a spread of Co–Co bond distances ranging from 2.53–2.64 Å. All Co–Si bond lengths are 2.56 Å. In the second Co site, Co is bonded to two equivalent Nd, eight Co, and two Si atoms to form distorted CoNd2Co8Si2 cuboctahedra that share corners with eighteen CoNd2Co8Si2 cuboctahedra, edges with four CoNd2Co9Si cuboctahedra, and faces with twelve CoNd2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.62 Å. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. In the third Co site, Co is bonded to two equivalent Nd, nine Co, and one Si atom to form a mixture of distorted face, edge, and corner-sharing CoNd2Co9Si cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.61 Å. The Co–Si bond length is 2.35 Å. In the fourth Co site, Co is bonded to two equivalent Nd, nine Co, and one Si atom to form a mixture of distorted face, edge, and corner-sharing CoNd2Co9Si cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.36–2.49 Å. The Co–Si bond length is 2.36 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, eight Co, and two Si atoms. The Co–Co bond length is 2.57 Å. There are one shorter (2.34 Å) and one longer (2.38 Å) Co–Si bond lengths. In the sixth Co site, Co is bonded to two equivalent Nd and ten Co atoms to form distorted CoNd2Co10 cuboctahedra that share corners with sixteen CoNd2Co8Si2 cuboctahedra, edges with four equivalent CoNd2Co9Si cuboctahedra, and faces with twelve CoNd2Co8Si2 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Co atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to ten Co atoms.},
doi = {10.17188/1729070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}