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Title: Materials Data on HoAlB14 by Materials Project

Abstract

HoAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho3+ is bonded in a 12-coordinate geometry to sixteen B+0.43- atoms. There are a spread of Ho–B bond distances ranging from 2.54–2.84 Å. Al3+ is bonded to twelve B+0.43- atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.12–2.44 Å. There are five inequivalent B+0.43- sites. In the first B+0.43- site, B+0.43- is bonded in a 7-coordinate geometry to one Ho3+, two equivalent Al3+, and four B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.75–2.25 Å. In the second B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to one Ho3+, one Al3+, and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the third B+0.43- site, B+0.43- is bonded in a 1-coordinate geometry to one Ho3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the fourth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Ho3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.78–1.92more » Å. In the fifth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Al3+ and six B+0.43- atoms.« less

Publication Date:
Other Number(s):
mp-569726
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; HoAlB14; Al-B-Ho
OSTI Identifier:
1275233
DOI:
10.17188/1275233

Citation Formats

The Materials Project. Materials Data on HoAlB14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275233.
The Materials Project. Materials Data on HoAlB14 by Materials Project. United States. doi:10.17188/1275233.
The Materials Project. 2020. "Materials Data on HoAlB14 by Materials Project". United States. doi:10.17188/1275233. https://www.osti.gov/servlets/purl/1275233. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275233,
title = {Materials Data on HoAlB14 by Materials Project},
author = {The Materials Project},
abstractNote = {HoAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho3+ is bonded in a 12-coordinate geometry to sixteen B+0.43- atoms. There are a spread of Ho–B bond distances ranging from 2.54–2.84 Å. Al3+ is bonded to twelve B+0.43- atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.12–2.44 Å. There are five inequivalent B+0.43- sites. In the first B+0.43- site, B+0.43- is bonded in a 7-coordinate geometry to one Ho3+, two equivalent Al3+, and four B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.75–2.25 Å. In the second B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to one Ho3+, one Al3+, and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the third B+0.43- site, B+0.43- is bonded in a 1-coordinate geometry to one Ho3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the fourth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Ho3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.78–1.92 Å. In the fifth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Al3+ and six B+0.43- atoms.},
doi = {10.17188/1275233},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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