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Title: Materials Data on Nb3(Ni10B3)2 by Materials Project

Abstract

Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Nb–Ni bond lengths are 2.47 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni atoms. All Nb–Ni bond lengths are 2.57 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiNbB3 tetrahedra. All Ni–B bond lengths are 2.13 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Nb and two equivalent B atoms. Both Ni–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:
Other Number(s):
mp-1210153
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; Nb3(Ni10B3)2; B-Nb-Ni
OSTI Identifier:
1750982
DOI:
https://doi.org/10.17188/1750982

Citation Formats

The Materials Project. Materials Data on Nb3(Ni10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750982.
The Materials Project. Materials Data on Nb3(Ni10B3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1750982
The Materials Project. 2020. "Materials Data on Nb3(Ni10B3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1750982. https://www.osti.gov/servlets/purl/1750982. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1750982,
title = {Materials Data on Nb3(Ni10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Nb–Ni bond lengths are 2.47 Å. In the second Nb site, Nb is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni atoms. All Nb–Ni bond lengths are 2.57 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiNbB3 tetrahedra. All Ni–B bond lengths are 2.13 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Nb and two equivalent B atoms. Both Ni–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1750982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}