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Title: Materials Data on Zn3(Ni10B3)2 by Materials Project

Abstract

Zn3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:
Other Number(s):
mp-10131
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; Zn3(Ni10B3)2; B-Ni-Zn
OSTI Identifier:
1186662
DOI:
10.17188/1186662

Citation Formats

The Materials Project. Materials Data on Zn3(Ni10B3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186662.
The Materials Project. Materials Data on Zn3(Ni10B3)2 by Materials Project. United States. doi:10.17188/1186662.
The Materials Project. 2020. "Materials Data on Zn3(Ni10B3)2 by Materials Project". United States. doi:10.17188/1186662. https://www.osti.gov/servlets/purl/1186662. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1186662,
title = {Materials Data on Zn3(Ni10B3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1186662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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