U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdInO3 by Materials Project
Abstract
GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Gd3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent In3+ atoms to form distorted corner-sharing OGd2In2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1212778
- 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; Gd-In-O; GdInO3; crystal structure
- OSTI Identifier:
- 1685987
- DOI:
- https://doi.org/10.17188/1685987
Citation Formats
Materials Data on GdInO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685987.
Materials Data on GdInO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685987
2020.
"Materials Data on GdInO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685987. https://www.osti.gov/servlets/purl/1685987. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685987,
title = {Materials Data on GdInO3 by Materials Project},
abstractNote = {GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Gd3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent In3+ atoms to form distorted corner-sharing OGd2In2 trigonal pyramids.},
doi = {10.17188/1685987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}