Materials Data on In2O3 by Materials Project
In2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to seven O2- atoms to form distorted edge-sharing InO7 pentagonal bipyramids. There are a spread of In–O bond distances ranging from 2.14–2.43 Å. In the second In3+ site, In3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of In–O bond distances ranging from 2.19–2.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to five In3+ atoms. In the second O2- site, O2- is bonded to five In3+ atoms to form distorted edge-sharing OIn5 trigonal bipyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five In3+ atoms.
- 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:
- 1280473
- Report Number(s):
- mp-644741
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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