Materials Data on K4SiO4 by Materials Project

doi:10.17188/1193351

Title: Materials Data on K4SiO4 by Materials Project

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Abstract

K4SiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and an edgeedge with one KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.60–2.70 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.25 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.14 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.90 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent KO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.68 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-18700

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; K4SiO4; K-O-Si

OSTI Identifier:: 1193351

DOI:: https://doi.org/10.17188/1193351

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                    The Materials Project. Materials Data on K4SiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193351.

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                    The Materials Project. Materials Data on K4SiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193351

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                    The Materials Project. 2020.  
"Materials Data on K4SiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193351.  https://www.osti.gov/servlets/purl/1193351. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1193351,

  title        = {Materials Data on K4SiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K4SiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and an edgeedge with one KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.60–2.70 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.25 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.14 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.90 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent KO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.68 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Si4+ atom.},

  doi          = {10.17188/1193351},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193351

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