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Title: Materials Data on NdCo9Si4 by Materials Project

Abstract

NdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.24 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Nd3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-17319
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdCo9Si4; Co-Nd-Si
OSTI Identifier:
1192447
DOI:
https://doi.org/10.17188/1192447

Citation Formats

The Materials Project. Materials Data on NdCo9Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192447.
The Materials Project. Materials Data on NdCo9Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1192447
The Materials Project. 2020. "Materials Data on NdCo9Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1192447. https://www.osti.gov/servlets/purl/1192447. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1192447,
title = {Materials Data on NdCo9Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.24 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Nd3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.},
doi = {10.17188/1192447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}