U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In2O3 by Materials Project
Abstract
In2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of In–O bond distances ranging from 2.14–2.31 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 49–71°. There are a spread of In–O bond distances ranging from 2.18–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 trigonal pyramids. In the second O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the third O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1194571
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; In-O; In2O3; crystal structure
- OSTI Identifier:
- 1675933
- DOI:
- https://doi.org/10.17188/1675933
Citation Formats
Materials Data on In2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675933.
Materials Data on In2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1675933
2020.
"Materials Data on In2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1675933. https://www.osti.gov/servlets/purl/1675933. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1675933,
title = {Materials Data on In2O3 by Materials Project},
abstractNote = {In2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of In–O bond distances ranging from 2.14–2.31 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 49–71°. There are a spread of In–O bond distances ranging from 2.18–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 trigonal pyramids. In the second O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 tetrahedra. In the third O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted edge and corner-sharing OIn4 trigonal pyramids.},
doi = {10.17188/1675933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}