U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InIO5 by Materials Project
Abstract
InO5I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two InO5I sheets oriented in the (0, 0, 1) direction. there are two inequivalent In sites. In the first In site, In is bonded to six O atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of In–O bond distances ranging from 2.06–2.46 Å. In the second In site, In is bonded to six O atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are a spread of In–O bond distances ranging from 2.05–2.48 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one In and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a trigonal planar geometry to two In and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a bent 120more »
- Publication Date:
- Other Number(s):
- mp-1196400
- 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; I-In-O; InIO5; crystal structure
- OSTI Identifier:
- 1699050
- DOI:
- https://doi.org/10.17188/1699050
Citation Formats
Materials Data on InIO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699050.
Materials Data on InIO5 by Materials Project. United States. doi:https://doi.org/10.17188/1699050
2020.
"Materials Data on InIO5 by Materials Project". United States. doi:https://doi.org/10.17188/1699050. https://www.osti.gov/servlets/purl/1699050. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1699050,
title = {Materials Data on InIO5 by Materials Project},
abstractNote = {InO5I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two InO5I sheets oriented in the (0, 0, 1) direction. there are two inequivalent In sites. In the first In site, In is bonded to six O atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of In–O bond distances ranging from 2.06–2.46 Å. In the second In site, In is bonded to six O atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. There are a spread of In–O bond distances ranging from 2.05–2.48 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one In and one I atom. The O–I bond length is 1.87 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a trigonal planar geometry to two In and one O atom. The O–O bond length is 1.32 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent In atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent In atoms. In the sixth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.80 Å. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one In and one I atom. The O–I bond length is 1.88 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms.},
doi = {10.17188/1699050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}