U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoNiAs by Materials Project
Abstract
HoNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 2.93 Å. All Ho–As bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 3.13 Å. All Ho–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Ho and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Ho and three equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1212066
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Ho-Ni; HoNiAs; crystal structure
- OSTI Identifier:
- 1683163
- DOI:
- https://doi.org/10.17188/1683163
Citation Formats
Materials Data on HoNiAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683163.
Materials Data on HoNiAs by Materials Project. United States. doi:https://doi.org/10.17188/1683163
2020.
"Materials Data on HoNiAs by Materials Project". United States. doi:https://doi.org/10.17188/1683163. https://www.osti.gov/servlets/purl/1683163. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683163,
title = {Materials Data on HoNiAs by Materials Project},
abstractNote = {HoNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 2.93 Å. All Ho–As bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 3.13 Å. All Ho–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Ho and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Ho and three equivalent Ni atoms.},
doi = {10.17188/1683163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}