U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCu3PbSe4 by Materials Project
Abstract
NaCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with four equivalent PbSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Na–Se bond lengths are 2.70 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent PbSe4 tetrahedra. All Cu–Se bond lengths are 2.65 Å. Pb2+ is bonded to four equivalent Se2- atoms to form PbSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Pb–Se bond lengths are 2.62 Å. Se2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Cu+1.67+, and one Pb2+ atom.
- Publication Date:
- Other Number(s):
- mp-1179888
- 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-Na-Pb-Se; NaCu3PbSe4; crystal structure
- OSTI Identifier:
- 1684533
- DOI:
- https://doi.org/10.17188/1684533
Citation Formats
Materials Data on NaCu3PbSe4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684533.
Materials Data on NaCu3PbSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1684533
2019.
"Materials Data on NaCu3PbSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1684533. https://www.osti.gov/servlets/purl/1684533. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1684533,
title = {Materials Data on NaCu3PbSe4 by Materials Project},
abstractNote = {NaCu3PbSe4 is Matlockite-derived structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with four equivalent PbSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Na–Se bond lengths are 2.70 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent PbSe4 tetrahedra. All Cu–Se bond lengths are 2.65 Å. Pb2+ is bonded to four equivalent Se2- atoms to form PbSe4 tetrahedra that share corners with four equivalent NaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Pb–Se bond lengths are 2.62 Å. Se2- is bonded in a 5-coordinate geometry to one Na1+, three equivalent Cu+1.67+, and one Pb2+ atom.},
doi = {10.17188/1684533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}