U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiMoP2 by Materials Project
Abstract
NiMoP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent P3- atoms to form distorted MoP6 pentagonal pyramids that share corners with twelve equivalent NiP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.47 Å. Ni2+ is bonded to six equivalent P3- atoms to form NiP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent NiP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Ni2+ atoms.
- Publication Date:
- Other Number(s):
- mp-10208
- 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; Mo-Ni-P; NiMoP2; crystal structure
- OSTI Identifier:
- 1186816
- DOI:
- https://doi.org/10.17188/1186816
Citation Formats
Materials Data on NiMoP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186816.
Materials Data on NiMoP2 by Materials Project. United States. doi:https://doi.org/10.17188/1186816
2020.
"Materials Data on NiMoP2 by Materials Project". United States. doi:https://doi.org/10.17188/1186816. https://www.osti.gov/servlets/purl/1186816. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1186816,
title = {Materials Data on NiMoP2 by Materials Project},
abstractNote = {NiMoP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent P3- atoms to form distorted MoP6 pentagonal pyramids that share corners with twelve equivalent NiP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.47 Å. Ni2+ is bonded to six equivalent P3- atoms to form NiP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent NiP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Ni2+ atoms.},
doi = {10.17188/1186816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}