Materials Data on KH by Materials Project

doi:10.17188/1199900

Title: Materials Data on KH by Materials Project

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Abstract

HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.85 Å. H1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-24084

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; H-K; KH; crystal structure

OSTI Identifier:: 1199900

DOI:: https://doi.org/10.17188/1199900

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                    Materials Data on KH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199900.

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                    Materials Data on KH by Materials Project.  United States.  doi:https://doi.org/10.17188/1199900

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                    2020.  
"Materials Data on KH by Materials Project".  United States.  doi:https://doi.org/10.17188/1199900.  https://www.osti.gov/servlets/purl/1199900. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1199900,

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

  
  abstractNote = {HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.85 Å. H1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1199900},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1199900

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Materials Data on KHS by Materials Project

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KH(IO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. There are six inequivalent O2- sites. In the first O2- site,more »« less

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