Materials Data on Pr2Se3 by Materials Project
Pr2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PrSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 3.01–3.18 Å. In the second Pr3+ site, Pr3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PrSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 3.02–3.25 Å. In the third Pr3+ site, Pr3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PrSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 2.98–3.32 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Se2- site, Se2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePr5 square pyramids. In the third Se2- site, Se2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePr5 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:
- 1206352
- Report Number(s):
- mp-32689
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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