U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In2(TeO3)3 by Materials Project
Abstract
In2(TeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of In–O bond distances ranging from 2.16–2.33 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.73 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one In3+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Te4+ atoms. In the fifth O2- site, O2- is bonded in a distortedmore »
- Publication Date:
- Other Number(s):
- mp-28091
- 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-Te; In2(TeO3)3; crystal structure
- OSTI Identifier:
- 1202211
- DOI:
- https://doi.org/10.17188/1202211
Citation Formats
Materials Data on In2(TeO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202211.
Materials Data on In2(TeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1202211
2020.
"Materials Data on In2(TeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1202211. https://www.osti.gov/servlets/purl/1202211. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1202211,
title = {Materials Data on In2(TeO3)3 by Materials Project},
abstractNote = {In2(TeO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of In–O bond distances ranging from 2.16–2.33 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.73 Å. In the second Te4+ site, Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one In3+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one In3+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom.},
doi = {10.17188/1202211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}