U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KGdO2 by Materials Project
Abstract
KGdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent GdO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All K–O bond lengths are 2.83 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Gd–O bond lengths are 2.36 Å. O2- is bonded to three equivalent K1+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OK3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-757021
- 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-K-O; KGdO2; crystal structure
- OSTI Identifier:
- 1290685
- DOI:
- https://doi.org/10.17188/1290685
Citation Formats
Materials Data on KGdO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290685.
Materials Data on KGdO2 by Materials Project. United States. doi:https://doi.org/10.17188/1290685
2020.
"Materials Data on KGdO2 by Materials Project". United States. doi:https://doi.org/10.17188/1290685. https://www.osti.gov/servlets/purl/1290685. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1290685,
title = {Materials Data on KGdO2 by Materials Project},
abstractNote = {KGdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent GdO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All K–O bond lengths are 2.83 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent GdO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Gd–O bond lengths are 2.36 Å. O2- is bonded to three equivalent K1+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OK3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1290685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}