U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbVCu3Se4 by Materials Project
Abstract
RbVCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form RbSe4 tetrahedra that share corners with four equivalent VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.01 Å. V4+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent VSe4 tetrahedra. All Cu–Se bond lengths are 2.57 Å. Se2- is bonded to one Rb1+, one V4+, and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeRbVCu3 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-1179694
- 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-Rb-Se-V; RbVCu3Se4; crystal structure
- OSTI Identifier:
- 1656301
- DOI:
- https://doi.org/10.17188/1656301
Citation Formats
Materials Data on RbVCu3Se4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1656301.
Materials Data on RbVCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1656301
2019.
"Materials Data on RbVCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1656301. https://www.osti.gov/servlets/purl/1656301. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1656301,
title = {Materials Data on RbVCu3Se4 by Materials Project},
abstractNote = {RbVCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form RbSe4 tetrahedra that share corners with four equivalent VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.01 Å. V4+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent VSe4 tetrahedra. All Cu–Se bond lengths are 2.57 Å. Se2- is bonded to one Rb1+, one V4+, and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeRbVCu3 trigonal bipyramids.},
doi = {10.17188/1656301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}