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Title: Materials Data on Lu2(Ni7B2)3 by Materials Project

Abstract

Lu2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded to sixteen Ni atoms to form distorted LuNi16 tetrahedra that share edges with six equivalent LuNi16 tetrahedra and faces with four equivalent NiNi12 cuboctahedra. There are four shorter (2.52 Å) and twelve longer (2.92 Å) Lu–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to twelve equivalent Ni atoms to form NiNi12 cuboctahedra that share faces with eight equivalent LuNi16 tetrahedra. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to one Lu and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiLuB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Lu, one Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:
Other Number(s):
mp-1193129
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; Lu2(Ni7B2)3; B-Lu-Ni
OSTI Identifier:
1740401
DOI:
https://doi.org/10.17188/1740401

Citation Formats

The Materials Project. Materials Data on Lu2(Ni7B2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1740401.
The Materials Project. Materials Data on Lu2(Ni7B2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1740401
The Materials Project. 2019. "Materials Data on Lu2(Ni7B2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1740401. https://www.osti.gov/servlets/purl/1740401. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1740401,
title = {Materials Data on Lu2(Ni7B2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded to sixteen Ni atoms to form distorted LuNi16 tetrahedra that share edges with six equivalent LuNi16 tetrahedra and faces with four equivalent NiNi12 cuboctahedra. There are four shorter (2.52 Å) and twelve longer (2.92 Å) Lu–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to twelve equivalent Ni atoms to form NiNi12 cuboctahedra that share faces with eight equivalent LuNi16 tetrahedra. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to one Lu and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiLuB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. In the third Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Lu, one Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},
doi = {10.17188/1740401},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}