skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on In2O3 by Materials Project

Abstract

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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-644741
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In2O3; In-O
OSTI Identifier:
1280473
DOI:
10.17188/1280473

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on In2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280473.
Persson, Kristin, & Project, Materials. Materials Data on In2O3 by Materials Project. United States. doi:10.17188/1280473.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on In2O3 by Materials Project". United States. doi:10.17188/1280473. https://www.osti.gov/servlets/purl/1280473. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1280473,
title = {Materials Data on In2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {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.},
doi = {10.17188/1280473},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: