U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMgP by Materials Project
Abstract
LiMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Mg2+ and four equivalent P3- atoms to form distorted LiMg4P4 tetrahedra that share corners with twelve equivalent PLi4Mg6 tetrahedra, edges with twelve equivalent LiMg4P4 tetrahedra, and faces with four equivalent PLi4Mg6 tetrahedra. All Li–Mg bond lengths are 2.50 Å. All Li–P bond lengths are 2.50 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Mg–P bond lengths are 2.89 Å. P3- is bonded to four equivalent Li1+ and six equivalent Mg2+ atoms to form distorted PLi4Mg6 tetrahedra that share corners with six equivalent PLi4Mg6 tetrahedra, corners with twelve equivalent LiMg4P4 tetrahedra, faces with four equivalent LiMg4P4 tetrahedra, and faces with twelve equivalent PLi4Mg6 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-10178
- 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; Li-Mg-P; LiMgP; crystal structure
- OSTI Identifier:
- 1186705
- DOI:
- https://doi.org/10.17188/1186705
Citation Formats
Materials Data on LiMgP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186705.
Materials Data on LiMgP by Materials Project. United States. doi:https://doi.org/10.17188/1186705
2020.
"Materials Data on LiMgP by Materials Project". United States. doi:https://doi.org/10.17188/1186705. https://www.osti.gov/servlets/purl/1186705. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1186705,
title = {Materials Data on LiMgP by Materials Project},
abstractNote = {LiMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Mg2+ and four equivalent P3- atoms to form distorted LiMg4P4 tetrahedra that share corners with twelve equivalent PLi4Mg6 tetrahedra, edges with twelve equivalent LiMg4P4 tetrahedra, and faces with four equivalent PLi4Mg6 tetrahedra. All Li–Mg bond lengths are 2.50 Å. All Li–P bond lengths are 2.50 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Li1+ and six equivalent P3- atoms. All Mg–P bond lengths are 2.89 Å. P3- is bonded to four equivalent Li1+ and six equivalent Mg2+ atoms to form distorted PLi4Mg6 tetrahedra that share corners with six equivalent PLi4Mg6 tetrahedra, corners with twelve equivalent LiMg4P4 tetrahedra, faces with four equivalent LiMg4P4 tetrahedra, and faces with twelve equivalent PLi4Mg6 tetrahedra.},
doi = {10.17188/1186705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}