U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbTiCu3Se4 by Materials Project
Abstract
RbTiCu3Se4 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 TiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.00 Å. Ti4+ is bonded to four equivalent Se2- atoms to form TiSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Ti–Se bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TiSe4 tetrahedra. All Cu–Se bond lengths are 2.60 Å. Se2- is bonded to one Rb1+, one Ti4+, and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SeRbTiCu3 trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179697
- 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; RbTiCu3Se4; Cu-Rb-Se-Ti
- OSTI Identifier:
- 1681316
- DOI:
- https://doi.org/10.17188/1681316
Citation Formats
The Materials Project. Materials Data on RbTiCu3Se4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1681316.
The Materials Project. Materials Data on RbTiCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1681316
The Materials Project. 2019.
"Materials Data on RbTiCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1681316. https://www.osti.gov/servlets/purl/1681316. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1681316,
title = {Materials Data on RbTiCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTiCu3Se4 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 TiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Rb–Se bond lengths are 3.00 Å. Ti4+ is bonded to four equivalent Se2- atoms to form TiSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Ti–Se bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent RbSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TiSe4 tetrahedra. All Cu–Se bond lengths are 2.60 Å. Se2- is bonded to one Rb1+, one Ti4+, and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SeRbTiCu3 trigonal bipyramids.},
doi = {10.17188/1681316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}