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

Title: Materials Data on CaIn2O4 by Materials Project

Abstract

CaIn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Ca–O bond lengths are 2.25 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.23 Å. O2- is bonded to one Ca2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OCaIn3 trigonal pyramids.

Publication Date:
Other Number(s):
mp-22766
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; CaIn2O4; Ca-In-O
OSTI Identifier:
1198959
DOI:
10.17188/1198959

Citation Formats

The Materials Project. Materials Data on CaIn2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198959.
The Materials Project. Materials Data on CaIn2O4 by Materials Project. United States. doi:10.17188/1198959.
The Materials Project. 2020. "Materials Data on CaIn2O4 by Materials Project". United States. doi:10.17188/1198959. https://www.osti.gov/servlets/purl/1198959. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198959,
title = {Materials Data on CaIn2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaIn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Ca–O bond lengths are 2.25 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.23 Å. O2- is bonded to one Ca2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OCaIn3 trigonal pyramids.},
doi = {10.17188/1198959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: