U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoAlFe by Materials Project
Abstract
HoFeAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four Ho, seven Fe, and five Al atoms. There are a spread of Ho–Ho bond distances ranging from 3.18–3.28 Å. There are a spread of Ho–Fe bond distances ranging from 3.09–3.18 Å. All Ho–Al bond lengths are 3.13 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ho, five Fe, and seven Al atoms. There are a spread of Ho–Fe bond distances ranging from 3.02–3.27 Å. There are a spread of Ho–Al bond distances ranging from 3.05–3.22 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six Ho, two equivalent Fe, and four Al atoms to form distorted FeHo6Al4Fe2 cuboctahedra that share corners with four equivalent FeHo6Al2Fe4 cuboctahedra, corners with eight AlHo6Fe6 cuboctahedra, edges with six equivalent FeHo6Al4Fe2 cuboctahedra, faces with eight FeHo6Al4Fe2 cuboctahedra, and faces with twelve AlHo6Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. There are a spread of Fe–Al bond distances ranging from 2.59–2.74 Å. In the second Fe site, Femore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223944
- 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; HoAlFe; Al-Fe-Ho
- OSTI Identifier:
- 1728340
- DOI:
- https://doi.org/10.17188/1728340
Citation Formats
The Materials Project. Materials Data on HoAlFe by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1728340.
The Materials Project. Materials Data on HoAlFe by Materials Project. United States. doi:https://doi.org/10.17188/1728340
The Materials Project. 2019.
"Materials Data on HoAlFe by Materials Project". United States. doi:https://doi.org/10.17188/1728340. https://www.osti.gov/servlets/purl/1728340. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1728340,
title = {Materials Data on HoAlFe by Materials Project},
author = {The Materials Project},
abstractNote = {HoFeAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four Ho, seven Fe, and five Al atoms. There are a spread of Ho–Ho bond distances ranging from 3.18–3.28 Å. There are a spread of Ho–Fe bond distances ranging from 3.09–3.18 Å. All Ho–Al bond lengths are 3.13 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ho, five Fe, and seven Al atoms. There are a spread of Ho–Fe bond distances ranging from 3.02–3.27 Å. There are a spread of Ho–Al bond distances ranging from 3.05–3.22 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six Ho, two equivalent Fe, and four Al atoms to form distorted FeHo6Al4Fe2 cuboctahedra that share corners with four equivalent FeHo6Al2Fe4 cuboctahedra, corners with eight AlHo6Fe6 cuboctahedra, edges with six equivalent FeHo6Al4Fe2 cuboctahedra, faces with eight FeHo6Al4Fe2 cuboctahedra, and faces with twelve AlHo6Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. There are a spread of Fe–Al bond distances ranging from 2.59–2.74 Å. In the second Fe site, Fe is bonded to six Ho, four Fe, and two equivalent Al atoms to form FeHo6Al2Fe4 cuboctahedra that share corners with eight FeHo6Al4Fe2 cuboctahedra, corners with ten AlHo6Al4Fe2 cuboctahedra, edges with two equivalent FeHo6Al2Fe4 cuboctahedra, edges with four equivalent AlHo6Al4Fe2 cuboctahedra, faces with eight AlHo6Fe6 cuboctahedra, and faces with ten FeHo6Al4Fe2 cuboctahedra. There are one shorter (2.66 Å) and one longer (2.73 Å) Fe–Fe bond lengths. There are one shorter (2.64 Å) and one longer (2.77 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Ho and six Fe atoms to form AlHo6Fe6 cuboctahedra that share corners with four equivalent FeHo6Al4Fe2 cuboctahedra, corners with fourteen AlHo6Fe6 cuboctahedra, edges with six AlHo6Fe6 cuboctahedra, faces with four equivalent AlHo6Al4Fe2 cuboctahedra, and faces with fourteen FeHo6Al4Fe2 cuboctahedra. In the second Al site, Al is bonded to six Ho, two equivalent Fe, and four Al atoms to form AlHo6Al4Fe2 cuboctahedra that share corners with eight AlHo6Fe6 cuboctahedra, corners with ten FeHo6Al4Fe2 cuboctahedra, edges with two equivalent AlHo6Al4Fe2 cuboctahedra, edges with four equivalent FeHo6Al2Fe4 cuboctahedra, faces with eight FeHo6Al4Fe2 cuboctahedra, and faces with ten AlHo6Fe6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–2.76 Å. In the third Al site, Al is bonded to six Ho, two equivalent Fe, and four equivalent Al atoms to form AlHo6Al4Fe2 cuboctahedra that share corners with six AlHo6Fe6 cuboctahedra, corners with twelve FeHo6Al4Fe2 cuboctahedra, edges with six AlHo6Fe6 cuboctahedra, faces with eight equivalent AlHo6Al4Fe2 cuboctahedra, and faces with ten FeHo6Al4Fe2 cuboctahedra.},
doi = {10.17188/1728340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}