Materials Data on KIO3 by Materials Project

doi:10.17188/1680459

Title: Materials Data on KIO3 by Materials Project

Dataset
Other Related Research

Abstract

KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.99–3.26 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.72 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1223446

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; I-K-O; KIO3; crystal structure

OSTI Identifier:: 1680459

DOI:: https://doi.org/10.17188/1680459

Citation Formats


                    Materials Data on KIO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680459.

Copy to clipboard


                    Materials Data on KIO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680459

Copy to clipboard


                    2020.  
"Materials Data on KIO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680459.  https://www.osti.gov/servlets/purl/1680459. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1680459,

  title        = {Materials Data on KIO3 by Materials Project},

  
  abstractNote = {KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.99–3.26 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.72 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms.},

  doi          = {10.17188/1680459},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1680459

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KIO3 by Materials Project

Dataset

KIO3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.47 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.34 Å. In the third K1+ site, K1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging frommore »« less
Materials Data on KIO3 by Materials Project

Dataset

KIO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (3.01 Å) and six longer (3.21 Å) K–O bond lengths. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms.
Materials Data on KIO3 by Materials Project

Dataset

KIO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent IO6 octahedra. All K–O bond lengths are 2.97 Å. O2- is bonded to four equivalent K1+ and two equivalent I5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4I2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both O–I bond lengths are 2.10 Å. I5+ is bonded tomore »« less
Materials Data on KIO3 by Materials Project

Dataset

KIO3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two hypoiodous acid molecules and one K2O5I sheet oriented in the (1, 1, -1) direction. In the K2O5I sheet, there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.24–2.39 Å. In the second K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.22–2.36 Å.more »« less
Materials Data on KIO3 by Materials Project

Dataset

KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.38 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.32 Å. In the third K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging frommore »« less

Similar Records