U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgIn2O4 by Materials Project
Abstract
MgIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent InO6 octahedra. There are two shorter (2.13 Å) and four longer (2.15 Å) Mg–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are two shorter (2.10 Å) and two longer (2.11 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent InO6 octahedra, and edges with four equivalent MgO6 octahedra. There are two shorter (2.18 Å) and four longer (2.20 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two In3+ atoms. Inmore »
- Publication Date:
- Other Number(s):
- mp-676338
- 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; In-Mg-O; MgIn2O4; crystal structure
- OSTI Identifier:
- 1283021
- DOI:
- https://doi.org/10.17188/1283021
Citation Formats
Materials Data on MgIn2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283021.
Materials Data on MgIn2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1283021
2020.
"Materials Data on MgIn2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1283021. https://www.osti.gov/servlets/purl/1283021. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283021,
title = {Materials Data on MgIn2O4 by Materials Project},
abstractNote = {MgIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent MgO6 octahedra, and edges with four equivalent InO6 octahedra. There are two shorter (2.13 Å) and four longer (2.15 Å) Mg–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with six equivalent MgO6 octahedra and corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are two shorter (2.10 Å) and two longer (2.11 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent InO6 octahedra, and edges with four equivalent MgO6 octahedra. There are two shorter (2.18 Å) and four longer (2.20 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two In3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three In3+ atoms.},
doi = {10.17188/1283021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}