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Title: Materials Data on Ni20(SnB2)3 by Materials Project

Abstract

Ni20(B2Sn)3 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 distorted bent 150 degrees geometry to two equivalent B and one Sn atom. Both Ni–B bond lengths are 2.14 Å. The Ni–Sn bond length is 2.58 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Ni–B bond lengths are 2.09 Å. The Ni–Sn bond length is 2.51 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-29724
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; Ni20(SnB2)3; B-Ni-Sn
OSTI Identifier:
1204196
DOI:
10.17188/1204196

Citation Formats

The Materials Project. Materials Data on Ni20(SnB2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204196.
The Materials Project. Materials Data on Ni20(SnB2)3 by Materials Project. United States. doi:10.17188/1204196.
The Materials Project. 2020. "Materials Data on Ni20(SnB2)3 by Materials Project". United States. doi:10.17188/1204196. https://www.osti.gov/servlets/purl/1204196. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204196,
title = {Materials Data on Ni20(SnB2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni20(B2Sn)3 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 distorted bent 150 degrees geometry to two equivalent B and one Sn atom. Both Ni–B bond lengths are 2.14 Å. The Ni–Sn bond length is 2.58 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Ni–B bond lengths are 2.09 Å. The Ni–Sn bond length is 2.51 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms.},
doi = {10.17188/1204196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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