Materials Data on K2Se2O7 by Materials Project

doi:10.17188/1683572

Title: Materials Data on K2Se2O7 by Materials Project

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Abstract

K2Se2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.25 Å. Se6+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se6+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190160

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; K2Se2O7; K-O-Se

OSTI Identifier:: 1683572

DOI:: https://doi.org/10.17188/1683572

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                    The Materials Project. Materials Data on K2Se2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683572.

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                    The Materials Project. Materials Data on K2Se2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683572

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                    The Materials Project. 2020.  
"Materials Data on K2Se2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683572.  https://www.osti.gov/servlets/purl/1683572. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1683572,

  title        = {Materials Data on K2Se2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Se2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.25 Å. Se6+ is bonded to four O2- atoms to form corner-sharing SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Se6+ atoms.},

  doi          = {10.17188/1683572},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1683572

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