Materials Data on K(IrO2)4 by Materials Project

doi:10.17188/1666973

Title: Materials Data on K(IrO2)4 by Materials Project

Dataset
Other Related Research

Abstract

K(IrO2)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 3.01 Å. 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ir+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Ir+3.75+ atoms.

Publication Date:: 2018-07-18

Other Number(s):: mp-1103777

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:: 1666973

DOI:: https://doi.org/10.17188/1666973

Citation Formats


                    Materials Data on K(IrO2)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1666973.

Copy to clipboard


                    Materials Data on K(IrO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666973

Copy to clipboard


                    2018.  
"Materials Data on K(IrO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666973.  https://www.osti.gov/servlets/purl/1666973. Pub date:Wed Jul 18 00:00:00 EDT 2018

Copy to clipboard


                    
@article{osti_1666973,

  title        = {Materials Data on K(IrO2)4 by Materials Project},

  
  abstractNote = {K(IrO2)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 3.01 Å. 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ir+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Ir+3.75+ atoms.},

  doi          = {10.17188/1666973},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1666973

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on K(IrO2)4 by Materials Project

Dataset

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 amore »« less
Materials Data on IrO2 by Materials Project

Dataset

IrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.00 Å) and two longer (2.05 Å) Ir–O bond lengths. O2- is bonded in a distorted T-shaped geometry to three equivalent Ir4+ atoms.
Materials Data on IrO2 by Materials Project

Dataset

IrO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (1.98 Å) and four longer (2.02 Å) Ir–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Ir4+ atoms.
Materials Data on IrO2 by Materials Project

Dataset

IrO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ir–O bond lengths are 2.02 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ir4+ atoms.
Materials Data on Rb(IrO2)6 by Materials Project

Dataset

Rb(IrO2)6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.86 Å) and four longer (3.40 Å) Rb–O bond lengths. There are two inequivalent Ir+3.83+ sites. In the first Ir+3.83+ site, Ir+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Ir–O bond distances ranging from 1.98–2.07 Å. In the second Ir+3.83+ site, Ir+3.83+ is bonded to six O2- atoms to form amore »« less

Similar Records