U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mo3Se4 by Materials Project
Abstract
Mo3Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mo+2.67+ sites. In the first Mo+2.67+ site, Mo+2.67+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.47–2.77 Å. In the second Mo+2.67+ site, Mo+2.67+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.41–2.94 Å. In the third Mo+2.67+ site, Mo+2.67+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.45–3.03 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a T-shaped geometry to three Mo+2.67+ atoms. In the second Se2- site, Se2- is bonded in a distorted bent 150 degrees geometry to three equivalent Mo+2.67+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two Mo+2.67+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.67+ atoms.
- Publication Date:
- Other Number(s):
- mp-1181732
- 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; Mo-Se; Mo3Se4; crystal structure
- OSTI Identifier:
- 1700422
- DOI:
- https://doi.org/10.17188/1700422
Citation Formats
Materials Data on Mo3Se4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700422.
Materials Data on Mo3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1700422
2019.
"Materials Data on Mo3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1700422. https://www.osti.gov/servlets/purl/1700422. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1700422,
title = {Materials Data on Mo3Se4 by Materials Project},
abstractNote = {Mo3Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mo+2.67+ sites. In the first Mo+2.67+ site, Mo+2.67+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.47–2.77 Å. In the second Mo+2.67+ site, Mo+2.67+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.41–2.94 Å. In the third Mo+2.67+ site, Mo+2.67+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Mo–Se bond distances ranging from 2.45–3.03 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a T-shaped geometry to three Mo+2.67+ atoms. In the second Se2- site, Se2- is bonded in a distorted bent 150 degrees geometry to three equivalent Mo+2.67+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two Mo+2.67+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.67+ atoms.},
doi = {10.17188/1700422},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 04:00:00 UTC 2019},
month = {Fri Jan 11 04:00:00 UTC 2019}
}