Materials Data on La2Se3 by Materials Project
La2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.01–3.38 Å. In the second La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.04–3.21 Å. In the third La3+ site, La3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing LaSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six La3+ atoms. In the third Se2- site, Se2- is bonded to five La3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeLa5 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:
- 1206384
- Report Number(s):
- mp-32798
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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