Materials Data on KAs4IO6 by Materials Project

doi:10.17188/1199252

Title: Materials Data on KAs4IO6 by Materials Project

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Abstract

K(As2O3)2I crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of one hydriodic acid molecule and one K(As2O3)2 sheet oriented in the (0, 0, 1) direction. In the K(As2O3)2 sheet, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.19 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.84 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent As3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-23126

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; KAs4IO6; As-I-K-O

OSTI Identifier:: 1199252

DOI:: https://doi.org/10.17188/1199252

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                    The Materials Project. Materials Data on KAs4IO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199252.

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                    The Materials Project. Materials Data on KAs4IO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199252

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                    The Materials Project. 2020.  
"Materials Data on KAs4IO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199252.  https://www.osti.gov/servlets/purl/1199252. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199252,

  title        = {Materials Data on KAs4IO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K(As2O3)2I crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of one hydriodic acid molecule and one K(As2O3)2 sheet oriented in the (0, 0, 1) direction. In the K(As2O3)2 sheet, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.19 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.84 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent As3+ atoms.},

  doi          = {10.17188/1199252},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199252

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