Materials Data on Na2SO14 by Materials Project

doi:10.17188/1744215

Title: Materials Data on Na2SO14 by Materials Project

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Abstract

Na2SO14 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Na2SO14 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.65 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.85 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. Themore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1182600

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; Na2SO14; Na-O-S

OSTI Identifier:: 1744215

DOI:: https://doi.org/10.17188/1744215

Citation Formats


                    The Materials Project. Materials Data on Na2SO14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744215.

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                    The Materials Project. Materials Data on Na2SO14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744215

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                    The Materials Project. 2020.  
"Materials Data on Na2SO14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744215.  https://www.osti.gov/servlets/purl/1744215. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1744215,

  title        = {Materials Data on Na2SO14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2SO14 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Na2SO14 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Na sites. In the first Na site, Na is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.65 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.85 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the fifth O site, O is bonded in a single-bond geometry to one O atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.33 Å. In the eighth O site, O is bonded in a trigonal non-coplanar geometry to two Na and one O atom. In the ninth O site, O is bonded in a water-like geometry to one Na and one S atom. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a distorted linear geometry to two Na and one S atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. In the thirteenth O site, O is bonded in a water-like geometry to one Na and one S atom. In the fourteenth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom.},

  doi          = {10.17188/1744215},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744215

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