Materials Data on K2Si4O9 by Materials Project

doi:10.17188/1308065

Title: Materials Data on K2Si4O9 by Materials Project

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Abstract

K2Si4O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to six equivalent O2- atoms to form corner-sharing SiO6 octahedra. All Si–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Si4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-07-24

Other Number(s):: mp-8380

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; K2Si4O9; K-O-Si

OSTI Identifier:: 1308065

DOI:: https://doi.org/10.17188/1308065

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                    The Materials Project. Materials Data on K2Si4O9 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1308065.

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                    The Materials Project. Materials Data on K2Si4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308065

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                    The Materials Project. 2017.  
"Materials Data on K2Si4O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308065.  https://www.osti.gov/servlets/purl/1308065. Pub date:Mon Jul 24 00:00:00 EDT 2017

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@article{osti_1308065,

  title        = {Materials Data on K2Si4O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Si4O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to six equivalent O2- atoms to form corner-sharing SiO6 octahedra. All Si–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Si4+ atoms.},

  doi          = {10.17188/1308065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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