U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; Ca-In-O; CaIn2O4; crystal structure
- OSTI Identifier:
- 1198959
- DOI:
- https://doi.org/10.17188/1198959
Citation Formats
Materials Data on CaIn2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198959.
Materials Data on CaIn2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1198959
2020.
"Materials Data on CaIn2O4 by Materials Project". United States. doi:https://doi.org/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},
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}
}
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