U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ReSe2 by Materials Project
Abstract
ReSe2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ReSe2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.45–2.66 Å. In the second Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.49–2.62 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three Re4+ atoms.
- Publication Date:
- Other Number(s):
- mp-541582
- 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; Re-Se; ReSe2; crystal structure
- OSTI Identifier:
- 1265164
- DOI:
- https://doi.org/10.17188/1265164
Citation Formats
Materials Data on ReSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265164.
Materials Data on ReSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1265164
2020.
"Materials Data on ReSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1265164. https://www.osti.gov/servlets/purl/1265164. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1265164,
title = {Materials Data on ReSe2 by Materials Project},
abstractNote = {ReSe2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ReSe2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.45–2.66 Å. In the second Re4+ site, Re4+ is bonded to six Se2- atoms to form distorted edge-sharing ReSe6 octahedra. There are a spread of Re–Se bond distances ranging from 2.49–2.62 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Re4+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three Re4+ atoms.},
doi = {10.17188/1265164},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}