Materials Data on Na2SiO9 by Materials Project

doi:10.17188/1721330

Title: Materials Data on Na2SiO9 by Materials Project

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Abstract

Na2SiO9 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Na2SiO9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 2-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.23–3.04 Å. In the second Na site, Na is bonded in a trigonal planar geometry to three O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.32 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.59–1.86 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Si atom. In the second O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planarmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1180535

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; Na2SiO9; Na-O-Si

OSTI Identifier:: 1721330

DOI:: https://doi.org/10.17188/1721330

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                    The Materials Project. Materials Data on Na2SiO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721330.

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                    The Materials Project. Materials Data on Na2SiO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721330

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                    The Materials Project. 2020.  
"Materials Data on Na2SiO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721330.  https://www.osti.gov/servlets/purl/1721330. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721330,

  title        = {Materials Data on Na2SiO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2SiO9 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Na2SiO9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 2-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.23–3.04 Å. In the second Na site, Na is bonded in a trigonal planar geometry to three O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.32 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.59–1.86 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Si atom. In the second O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Na and one Si atom. In the fifth O site, O is bonded in a linear geometry to one Na and one O atom. The O–O bond length is 1.25 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to one Na and one O atom. In the eighth O site, O is bonded in a 1-coordinate geometry to one Na and two O atoms. The O–O bond length is 1.95 Å. In the ninth O site, O is bonded in a 2-coordinate geometry to one Na and two O atoms.},

  doi          = {10.17188/1721330},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1721330

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