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Title: Materials Data on In2(Ni7B2)3 by Materials Project

Abstract

In2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiInB3 tetrahedra. The Ni–In bond length is 2.50 Å. All Ni–B bond lengths are 2.08 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:
Other Number(s):
mp-21551
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; In2(Ni7B2)3; B-In-Ni
OSTI Identifier:
1196988
DOI:
https://doi.org/10.17188/1196988

Citation Formats

The Materials Project. Materials Data on In2(Ni7B2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196988.
The Materials Project. Materials Data on In2(Ni7B2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1196988
The Materials Project. 2020. "Materials Data on In2(Ni7B2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1196988. https://www.osti.gov/servlets/purl/1196988. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1196988,
title = {Materials Data on In2(Ni7B2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {In2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiInB3 tetrahedra. The Ni–In bond length is 2.50 Å. All Ni–B bond lengths are 2.08 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1196988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}