Materials Data on Pu2S3 by Materials Project
Pu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.77–2.96 Å. In the second Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.80–2.98 Å. In the third Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.76–3.04 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids.
- 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:
- 1206527
- Report Number(s):
- mp-33239
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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