Materials Data on KSe2O by Materials Project

doi:10.17188/1731264

Title: Materials Data on KSe2O by Materials Project

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Abstract

KSe2O crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to three Se and two O atoms. There are a spread of K–Se bond distances ranging from 3.32–3.71 Å. There are one shorter (2.72 Å) and one longer (2.95 Å) K–O bond lengths. In the second K site, K is bonded in a 3-coordinate geometry to four Se and three O atoms. There are a spread of K–Se bond distances ranging from 3.45–3.75 Å. There are a spread of K–O bond distances ranging from 2.78–2.96 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a single-bond geometry to one Se and one O atom. The Se–Se bond length is 2.34 Å. The Se–O bond length is 1.73 Å. In the second Se site, Se is bonded in a single-bond geometry to one Se and one O atom. The Se–Se bond length is 2.33 Å. The Se–O bond length is 1.73 Å. In the third Se site, Se is bonded in a 5-coordinate geometry to four K and one Se atom. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1105576

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; KSe2O; K-O-Se

OSTI Identifier:: 1731264

DOI:: https://doi.org/10.17188/1731264

Citation Formats


                    The Materials Project. Materials Data on KSe2O by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1731264.

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                    The Materials Project. Materials Data on KSe2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1731264

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                    The Materials Project. 2018.  
"Materials Data on KSe2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1731264.  https://www.osti.gov/servlets/purl/1731264. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1731264,

  title        = {Materials Data on KSe2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSe2O crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 2-coordinate geometry to three Se and two O atoms. There are a spread of K–Se bond distances ranging from 3.32–3.71 Å. There are one shorter (2.72 Å) and one longer (2.95 Å) K–O bond lengths. In the second K site, K is bonded in a 3-coordinate geometry to four Se and three O atoms. There are a spread of K–Se bond distances ranging from 3.45–3.75 Å. There are a spread of K–O bond distances ranging from 2.78–2.96 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in a single-bond geometry to one Se and one O atom. The Se–Se bond length is 2.34 Å. The Se–O bond length is 1.73 Å. In the second Se site, Se is bonded in a single-bond geometry to one Se and one O atom. The Se–Se bond length is 2.33 Å. The Se–O bond length is 1.73 Å. In the third Se site, Se is bonded in a 5-coordinate geometry to four K and one Se atom. In the fourth Se site, Se is bonded in a 4-coordinate geometry to three K and one Se atom. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two K and one Se atom. In the second O site, O is bonded to three K and one Se atom to form corner-sharing OK3Se tetrahedra.},

  doi          = {10.17188/1731264},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1731264

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