Materials Data on Nd2Se3 by Materials Project
Nd2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.96–3.30 Å. In the second Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 2.99–3.16 Å. In the third Nd3+ site, Nd3+ is bonded to eight Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Nd3+ atoms. In the third Se2- site, Se2- is bonded to five Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeNd5 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:
- 1206351
- Report Number(s):
- mp-32688
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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