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Title: Materials Data on V3(Ni10B3)2 by Materials Project

Abstract

V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:
Other Number(s):
mp-1192799
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; V3(Ni10B3)2; B-Ni-V
OSTI Identifier:
1656396
DOI:
https://doi.org/10.17188/1656396

Citation Formats

The Materials Project. Materials Data on V3(Ni10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656396.
The Materials Project. Materials Data on V3(Ni10B3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656396
The Materials Project. 2020. "Materials Data on V3(Ni10B3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656396. https://www.osti.gov/servlets/purl/1656396. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1656396,
title = {Materials Data on V3(Ni10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1656396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}