Materials Data on In2Se3 by Materials Project
In2Se3 crystallizes in the hexagonal P6_5 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.95–3.25 Å. In the second In3+ site, In3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of In–Se bond distances ranging from 2.51–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one In3+ and one Se2- atom. The Se–Se bond length is 2.44 Å. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three In3+ and one Se2- atom.
- 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:
- 1281894
- Report Number(s):
- mp-672673
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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