U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K(IrO2)4 by Materials Project
Abstract
K(IrO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) K–O bond lengths. There are two inequivalent Ir+3.75+ sites. In the first Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.97–2.08 Å. In the second Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.99–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+ and three equivalent Ir+3.75+ atoms to form a mixture of distorted edge and corner-sharing OKIr3 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the fourth O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-30546
- 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; Ir-K-O; K(IrO2)4; crystal structure
- OSTI Identifier:
- 1204942
- DOI:
- https://doi.org/10.17188/1204942
Citation Formats
Materials Data on K(IrO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204942.
Materials Data on K(IrO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1204942
2020.
"Materials Data on K(IrO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1204942. https://www.osti.gov/servlets/purl/1204942. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1204942,
title = {Materials Data on K(IrO2)4 by Materials Project},
abstractNote = {K(IrO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) K–O bond lengths. There are two inequivalent Ir+3.75+ sites. In the first Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.97–2.08 Å. In the second Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.99–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+ and three equivalent Ir+3.75+ atoms to form a mixture of distorted edge and corner-sharing OKIr3 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the fourth O2- site, O2- is bonded to one K1+ and three equivalent Ir+3.75+ atoms to form a mixture of distorted edge and corner-sharing OKIr3 tetrahedra.},
doi = {10.17188/1204942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}