Materials Data on Np2S3 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1262055
- Report Number(s):
- mp-504783
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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