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Title: Materials Data on Ni4B3 by Materials Project

Abstract

Ni4B3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.15 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ni–B bond distances ranging from 2.08–2.37 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven Ni+2.25+ and two B3- atoms. There is one shorter (1.85 Å) and one longer (1.87 Å) B–B bond length. In the second B3- site, B3- is bonded in a 10-coordinate geometry to eight Ni+2.25+ and two equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-569404
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; Ni4B3; B-Ni
OSTI Identifier:
1275081
DOI:
https://doi.org/10.17188/1275081

Citation Formats

The Materials Project. Materials Data on Ni4B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275081.
The Materials Project. Materials Data on Ni4B3 by Materials Project. United States. doi:https://doi.org/10.17188/1275081
The Materials Project. 2020. "Materials Data on Ni4B3 by Materials Project". United States. doi:https://doi.org/10.17188/1275081. https://www.osti.gov/servlets/purl/1275081. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275081,
title = {Materials Data on Ni4B3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni4B3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.15 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ni–B bond distances ranging from 2.08–2.37 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven Ni+2.25+ and two B3- atoms. There is one shorter (1.85 Å) and one longer (1.87 Å) B–B bond length. In the second B3- site, B3- is bonded in a 10-coordinate geometry to eight Ni+2.25+ and two equivalent B3- atoms.},
doi = {10.17188/1275081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}