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Title: Materials Data on Nd5Si3B by Materials Project

Abstract

Nd5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Nd–B bond lengths are 2.71 Å. There are a spread of Nd–Si bond distances ranging from 3.12–3.64 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Nd–Si bond lengths are 3.19 Å. B3- is bonded to six equivalent Nd3+ atoms to form face-sharing BNd6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Nd3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209928
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; Nd5Si3B; B-Nd-Si
OSTI Identifier:
1684175
DOI:
https://doi.org/10.17188/1684175

Citation Formats

The Materials Project. Materials Data on Nd5Si3B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684175.
The Materials Project. Materials Data on Nd5Si3B by Materials Project. United States. doi:https://doi.org/10.17188/1684175
The Materials Project. 2020. "Materials Data on Nd5Si3B by Materials Project". United States. doi:https://doi.org/10.17188/1684175. https://www.osti.gov/servlets/purl/1684175. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684175,
title = {Materials Data on Nd5Si3B by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Nd–B bond lengths are 2.71 Å. There are a spread of Nd–Si bond distances ranging from 3.12–3.64 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Nd–Si bond lengths are 3.19 Å. B3- is bonded to six equivalent Nd3+ atoms to form face-sharing BNd6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Nd3+ atoms.},
doi = {10.17188/1684175},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}