U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbPSe by Materials Project
Abstract
NbPSe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent Se2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Nb–Se bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.27 Å) and one longer (2.59 Å) P–P bond lengths. Se2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted corner and edge-sharing SeNb4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-7524
- 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; Nb-P-Se; NbPSe; crystal structure
- OSTI Identifier:
- 1288531
- DOI:
- https://doi.org/10.17188/1288531
Citation Formats
Materials Data on NbPSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288531.
Materials Data on NbPSe by Materials Project. United States. doi:https://doi.org/10.17188/1288531
2020.
"Materials Data on NbPSe by Materials Project". United States. doi:https://doi.org/10.17188/1288531. https://www.osti.gov/servlets/purl/1288531. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1288531,
title = {Materials Data on NbPSe by Materials Project},
abstractNote = {NbPSe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent Se2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Nb–Se bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.27 Å) and one longer (2.59 Å) P–P bond lengths. Se2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted corner and edge-sharing SeNb4 tetrahedra.},
doi = {10.17188/1288531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.