Materials Data on VS2NO9 by Materials Project

doi:10.17188/1749510

Title: Materials Data on VS2NO9 by Materials Project

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Abstract

(VS2O9)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ammonia molecules and two VS2O9 sheets oriented in the (0, 0, 1) direction. In each VS2O9 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1196448

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; VS2NO9; N-O-S-V

OSTI Identifier:: 1749510

DOI:: https://doi.org/10.17188/1749510

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                    The Materials Project. Materials Data on VS2NO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749510.

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                    The Materials Project. Materials Data on VS2NO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749510

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                    The Materials Project. 2020.  
"Materials Data on VS2NO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749510.  https://www.osti.gov/servlets/purl/1749510. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1749510,

  title        = {Materials Data on VS2NO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(VS2O9)2N2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ammonia molecules and two VS2O9 sheets oriented in the (0, 0, 1) direction. In each VS2O9 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one S6+ atom.},

  doi          = {10.17188/1749510},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749510

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