U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVCuO4 by Materials Project
Abstract
LiCuVO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent VO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent CuO6 octahedra. There are four shorter (2.10 Å) and two longer (2.26 Å) Li–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There is two shorter (1.70 Å) and two longer (1.83 Å) V–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent VO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four equivalent LiO6 octahedra. There are four shorter (1.98 Å) and two longer (2.49 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V5+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalentmore »
- Publication Date:
- Other Number(s):
- mp-505131
- 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; Cu-Li-O-V; LiVCuO4; crystal structure
- OSTI Identifier:
- 1262282
- DOI:
- https://doi.org/10.17188/1262282
Citation Formats
Materials Data on LiVCuO4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1262282.
Materials Data on LiVCuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1262282
2017.
"Materials Data on LiVCuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1262282. https://www.osti.gov/servlets/purl/1262282. Pub date:Wed May 10 04:00:00 UTC 2017
@article{osti_1262282,
title = {Materials Data on LiVCuO4 by Materials Project},
abstractNote = {LiCuVO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent VO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent CuO6 octahedra. There are four shorter (2.10 Å) and two longer (2.26 Å) Li–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There is two shorter (1.70 Å) and two longer (1.83 Å) V–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent VO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four equivalent LiO6 octahedra. There are four shorter (1.98 Å) and two longer (2.49 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V5+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one V5+, and one Cu2+ atom.},
doi = {10.17188/1262282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}