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Title: Materials Data on Ho4NiB13 by Materials Project

Abstract

Ho4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Ho–B bond distances ranging from 2.55–2.89 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Ho3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.10 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Ho3+ and three B+1.15- atoms. There is two shorter (1.77 Å) and one longer (1.91 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Ho3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.81 Å.

Authors:
Publication Date:
Other Number(s):
mp-1202173
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho4NiB13; B-Ho-Ni
OSTI Identifier:
1675627
DOI:
https://doi.org/10.17188/1675627

Citation Formats

The Materials Project. Materials Data on Ho4NiB13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1675627.
The Materials Project. Materials Data on Ho4NiB13 by Materials Project. United States. doi:https://doi.org/10.17188/1675627
The Materials Project. 2020. "Materials Data on Ho4NiB13 by Materials Project". United States. doi:https://doi.org/10.17188/1675627. https://www.osti.gov/servlets/purl/1675627. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1675627,
title = {Materials Data on Ho4NiB13 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Ho–B bond distances ranging from 2.55–2.89 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.18 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Ho3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.10 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Ho3+ and three B+1.15- atoms. There is two shorter (1.77 Å) and one longer (1.91 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Ho3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.81 Å.},
doi = {10.17188/1675627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}