U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pb2SeS by Materials Project
Abstract
Pb2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of edge and corner-sharing PbSe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Se bond lengths are 3.10 Å. All Pb–S bond lengths are 3.03 Å. Se2- is bonded to six equivalent Pb2+ atoms to form SePb6 octahedra that share corners with six equivalent SPb6 octahedra, edges with six equivalent SePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 2°. S2- is bonded to six equivalent Pb2+ atoms to form SPb6 octahedra that share corners with six equivalent SePb6 octahedra, edges with six equivalent SePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 2°.
- Publication Date:
- Other Number(s):
- mp-1219926
- 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; Pb-S-Se; Pb2SeS; crystal structure
- OSTI Identifier:
- 1688119
- DOI:
- https://doi.org/10.17188/1688119
Citation Formats
Materials Data on Pb2SeS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688119.
Materials Data on Pb2SeS by Materials Project. United States. doi:https://doi.org/10.17188/1688119
2020.
"Materials Data on Pb2SeS by Materials Project". United States. doi:https://doi.org/10.17188/1688119. https://www.osti.gov/servlets/purl/1688119. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688119,
title = {Materials Data on Pb2SeS by Materials Project},
abstractNote = {Pb2SeS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form a mixture of edge and corner-sharing PbSe3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Se bond lengths are 3.10 Å. All Pb–S bond lengths are 3.03 Å. Se2- is bonded to six equivalent Pb2+ atoms to form SePb6 octahedra that share corners with six equivalent SPb6 octahedra, edges with six equivalent SePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 2°. S2- is bonded to six equivalent Pb2+ atoms to form SPb6 octahedra that share corners with six equivalent SePb6 octahedra, edges with six equivalent SePb6 octahedra, and edges with six equivalent SPb6 octahedra. The corner-sharing octahedral tilt angles are 2°.},
doi = {10.17188/1688119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}