Title: Materials Data on Ni3B by Materials Project

Abstract

Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.30 Å. In the second Ni1+ site, Ni1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.02 Å. B3- is bonded in a 6-coordinate geometry to eight Ni1+ atoms.

Publication Date:
Other Number(s):
mp-2058
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; B-Ni; crystal structure; Ni3B
OSTI Identifier:
1195723
DOI:
https://doi.org/10.17188/1195723

Citation Formats

Materials Data on Ni3B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195723.
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Materials Data on Ni3B by Materials Project. United States. doi:https://doi.org/10.17188/1195723
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2020. "Materials Data on Ni3B by Materials Project". United States. doi:https://doi.org/10.17188/1195723. https://www.osti.gov/servlets/purl/1195723. Pub date:Mon Jul 13 20:00:00 EDT 2020
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@article{osti_1195723,
title = {Materials Data on Ni3B by Materials Project},
abstractNote = {Ni3B is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.30 Å. In the second Ni1+ site, Ni1+ is bonded in a distorted bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.02 Å. B3- is bonded in a 6-coordinate geometry to eight Ni1+ atoms.},
doi = {10.17188/1195723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1195723
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