U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3HoSb2 by Materials Project
Abstract
Li3HoSb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with three equivalent LiSb6 octahedra, corners with six equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent HoSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–56°. There are three shorter (2.73 Å) and one longer (2.88 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with twelve equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, faces with two equivalent HoSb6 octahedra, and faces with six equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. All Li–Sb bond lengths are 3.19 Å. Ho3+ is bonded to six equivalent Sb3- atoms to form HoSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with six equivalent HoSb6 octahedra, edges with six equivalent LiSb4 tetrahedra, and facesmore »
- Publication Date:
- Other Number(s):
- mp-1018764
- 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; Ho-Li-Sb; Li3HoSb2; crystal structure
- OSTI Identifier:
- 1350319
- DOI:
- https://doi.org/10.17188/1350319
Citation Formats
Materials Data on Li3HoSb2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350319.
Materials Data on Li3HoSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1350319
2020.
"Materials Data on Li3HoSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1350319. https://www.osti.gov/servlets/purl/1350319. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1350319,
title = {Materials Data on Li3HoSb2 by Materials Project},
abstractNote = {Li3HoSb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with three equivalent LiSb6 octahedra, corners with six equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with three equivalent HoSb6 octahedra, edges with three equivalent LiSb4 tetrahedra, and faces with three equivalent LiSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–56°. There are three shorter (2.73 Å) and one longer (2.88 Å) Li–Sb bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent Sb3- atoms to form LiSb6 octahedra that share corners with twelve equivalent HoSb6 octahedra, corners with six equivalent LiSb4 tetrahedra, edges with six equivalent LiSb6 octahedra, faces with two equivalent HoSb6 octahedra, and faces with six equivalent LiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. All Li–Sb bond lengths are 3.19 Å. Ho3+ is bonded to six equivalent Sb3- atoms to form HoSb6 octahedra that share corners with twelve equivalent LiSb6 octahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with six equivalent HoSb6 octahedra, edges with six equivalent LiSb4 tetrahedra, and faces with two equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ho–Sb bond lengths are 3.16 Å. Sb3- is bonded in a 10-coordinate geometry to seven Li1+ and three equivalent Ho3+ atoms.},
doi = {10.17188/1350319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}