U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Np2S3 by Materials Project
Abstract
Np2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing NpS7 pentagonal bipyramids. There are a spread of Np–S bond distances ranging from 2.73–2.79 Å. In the second Np3+ site, Np3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Np–S bond distances ranging from 2.80–3.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Np3+ atoms to form a mixture of distorted corner and edge-sharing SNp5 square pyramids. In the second S2- site, S2- is bonded to five Np3+ atoms to form a mixture of distorted corner and edge-sharing SNp5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Np3+ atoms.
- Publication Date:
- Other Number(s):
- mp-504783
- 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; Np-S; Np2S3; crystal structure
- OSTI Identifier:
- 1262055
- DOI:
- https://doi.org/10.17188/1262055
Citation Formats
Materials Data on Np2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262055.
Materials Data on Np2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1262055
2020.
"Materials Data on Np2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1262055. https://www.osti.gov/servlets/purl/1262055. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1262055,
title = {Materials Data on Np2S3 by Materials Project},
abstractNote = {Np2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing NpS7 pentagonal bipyramids. There are a spread of Np–S bond distances ranging from 2.73–2.79 Å. In the second Np3+ site, Np3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Np–S bond distances ranging from 2.80–3.28 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Np3+ atoms to form a mixture of distorted corner and edge-sharing SNp5 square pyramids. In the second S2- site, S2- is bonded to five Np3+ atoms to form a mixture of distorted corner and edge-sharing SNp5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Np3+ atoms.},
doi = {10.17188/1262055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}