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Title: Materials Data on In2O3 by Materials Project

Abstract

In2O3 is Stibnite structured and 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 a mixture of distorted edge, face, and corner-sharing InO7 pentagonal bipyramids. There are a spread of In–O bond distances ranging from 2.20–2.44 Å. In the second In3+ site, In3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing InO7 pentagonal bipyramids. There are a spread of In–O bond distances ranging from 2.20–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four In3+ atoms to form distorted OIn4 trigonal pyramids that share corners with four equivalent OIn5 square pyramids, corners with seven equivalent OIn5 trigonal bipyramids, corners with four equivalent OIn4 trigonal pyramids, edges with three equivalent OIn5 square pyramids, and a faceface with one OIn5 trigonal bipyramid. In the second O2- site, O2- is bonded to five In3+ atoms to form OIn5 square pyramids that share corners with eight equivalent OIn5 trigonal bipyramids, corners with four equivalent OIn4 trigonal pyramids, edges with four equivalent OIn5 square pyramids, edges with twomore » equivalent OIn5 trigonal bipyramids, and edges with three equivalent OIn4 trigonal pyramids. In the third O2- site, O2- is bonded to five In3+ atoms to form distorted OIn5 trigonal bipyramids that share corners with eight equivalent OIn5 square pyramids, corners with seven equivalent OIn4 trigonal pyramids, edges with two equivalent OIn5 square pyramids, edges with four equivalent OIn5 trigonal bipyramids, and a faceface with one OIn4 trigonal pyramid.« less

Publication Date:
Other Number(s):
mp-1105699
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:
1684298
DOI:
https://doi.org/10.17188/1684298

Citation Formats

The Materials Project. Materials Data on In2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684298.
The Materials Project. Materials Data on In2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1684298
The Materials Project. 2020. "Materials Data on In2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1684298. https://www.osti.gov/servlets/purl/1684298. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684298,
title = {Materials Data on In2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {In2O3 is Stibnite structured and 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 a mixture of distorted edge, face, and corner-sharing InO7 pentagonal bipyramids. There are a spread of In–O bond distances ranging from 2.20–2.44 Å. In the second In3+ site, In3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing InO7 pentagonal bipyramids. There are a spread of In–O bond distances ranging from 2.20–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four In3+ atoms to form distorted OIn4 trigonal pyramids that share corners with four equivalent OIn5 square pyramids, corners with seven equivalent OIn5 trigonal bipyramids, corners with four equivalent OIn4 trigonal pyramids, edges with three equivalent OIn5 square pyramids, and a faceface with one OIn5 trigonal bipyramid. In the second O2- site, O2- is bonded to five In3+ atoms to form OIn5 square pyramids that share corners with eight equivalent OIn5 trigonal bipyramids, corners with four equivalent OIn4 trigonal pyramids, edges with four equivalent OIn5 square pyramids, edges with two equivalent OIn5 trigonal bipyramids, and edges with three equivalent OIn4 trigonal pyramids. In the third O2- site, O2- is bonded to five In3+ atoms to form distorted OIn5 trigonal bipyramids that share corners with eight equivalent OIn5 square pyramids, corners with seven equivalent OIn4 trigonal pyramids, edges with two equivalent OIn5 square pyramids, edges with four equivalent OIn5 trigonal bipyramids, and a faceface with one OIn4 trigonal pyramid.},
doi = {10.17188/1684298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Synthesis and photoluminescence property of indium oxide nanowires
journal, December 2008


Conducting properties of In2O3:Sn thin films at low temperatures
journal, June 2013