U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiY(CuP)2 by Materials Project
Abstract
LiY(CuP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cu1+ and six equivalent P3- atoms to form LiCu6P6 cuboctahedra that share corners with twelve equivalent YP6 octahedra, faces with six equivalent LiCu6P6 cuboctahedra, and faces with two equivalent YP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–Cu bond lengths are 2.55 Å. All Li–P bond lengths are 2.78 Å. Y3+ is bonded to six equivalent P3- atoms to form YP6 octahedra that share corners with twelve equivalent LiCu6P6 cuboctahedra, edges with six equivalent YP6 octahedra, and faces with two equivalent LiCu6P6 cuboctahedra. All Y–P bond lengths are 2.87 Å. Cu1+ is bonded in a 7-coordinate geometry to three equivalent Li1+ and four equivalent P3- atoms. There are three shorter (2.34 Å) and one longer (2.67 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to three equivalent Li1+, three equivalent Y3+, and four equivalent Cu1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1018791
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiY(CuP)2; Cu-Li-P-Y
- OSTI Identifier:
- 1350378
- DOI:
- https://doi.org/10.17188/1350378
Citation Formats
The Materials Project. Materials Data on LiY(CuP)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350378.
The Materials Project. Materials Data on LiY(CuP)2 by Materials Project. United States. doi:https://doi.org/10.17188/1350378
The Materials Project. 2020.
"Materials Data on LiY(CuP)2 by Materials Project". United States. doi:https://doi.org/10.17188/1350378. https://www.osti.gov/servlets/purl/1350378. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1350378,
title = {Materials Data on LiY(CuP)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiY(CuP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cu1+ and six equivalent P3- atoms to form LiCu6P6 cuboctahedra that share corners with twelve equivalent YP6 octahedra, faces with six equivalent LiCu6P6 cuboctahedra, and faces with two equivalent YP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–Cu bond lengths are 2.55 Å. All Li–P bond lengths are 2.78 Å. Y3+ is bonded to six equivalent P3- atoms to form YP6 octahedra that share corners with twelve equivalent LiCu6P6 cuboctahedra, edges with six equivalent YP6 octahedra, and faces with two equivalent LiCu6P6 cuboctahedra. All Y–P bond lengths are 2.87 Å. Cu1+ is bonded in a 7-coordinate geometry to three equivalent Li1+ and four equivalent P3- atoms. There are three shorter (2.34 Å) and one longer (2.67 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to three equivalent Li1+, three equivalent Y3+, and four equivalent Cu1+ atoms.},
doi = {10.17188/1350378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}