U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErNiP by Materials Project
Abstract
ErNiP 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 Er sites. In the first Er site, Er is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing ErNi6P6 cuboctahedra. All Er–Ni bond lengths are 2.98 Å. All Er–P bond lengths are 2.91 Å. In the second Er site, Er is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing ErNi6P6 cuboctahedra. All Er–Ni bond lengths are 2.91 Å. All Er–P bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Er and three equivalent P atoms. All Ni–P bond lengths are 2.24 Å. P is bonded in a 3-coordinate geometry to six Er and three equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1103423
- 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; Er-Ni-P; ErNiP; crystal structure
- OSTI Identifier:
- 1729029
- DOI:
- https://doi.org/10.17188/1729029
Citation Formats
Materials Data on ErNiP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729029.
Materials Data on ErNiP by Materials Project. United States. doi:https://doi.org/10.17188/1729029
2020.
"Materials Data on ErNiP by Materials Project". United States. doi:https://doi.org/10.17188/1729029. https://www.osti.gov/servlets/purl/1729029. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1729029,
title = {Materials Data on ErNiP by Materials Project},
abstractNote = {ErNiP 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 Er sites. In the first Er site, Er is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing ErNi6P6 cuboctahedra. All Er–Ni bond lengths are 2.98 Å. All Er–P bond lengths are 2.91 Å. In the second Er site, Er is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing ErNi6P6 cuboctahedra. All Er–Ni bond lengths are 2.91 Å. All Er–P bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Er and three equivalent P atoms. All Ni–P bond lengths are 2.24 Å. P is bonded in a 3-coordinate geometry to six Er and three equivalent Ni atoms.},
doi = {10.17188/1729029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}