Materials Data on Ag2S(NO)2 by Materials Project

doi:10.17188/1654329

Title: Materials Data on Ag2S(NO)2 by Materials Project

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Abstract

Ag2S(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N1+ atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) Ag–N bond lengths. In the second Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to two N1+ and two O2- atoms. There are one shorter (2.09 Å) and one longer (2.13 Å) Ag–N bond lengths. There are one shorter (2.26 Å) and one longer (2.45 Å) Ag–O bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. In the second N1+ site, N1+ is bonded in a 1-coordinate geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. S2- is bonded in a tetrahedral geometry to two N1+ and two O2- atoms. Both S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag2+ and one S2-more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1182977

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; Ag2S(NO)2; Ag-N-O-S

OSTI Identifier:: 1654329

DOI:: https://doi.org/10.17188/1654329

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                    The Materials Project. Materials Data on Ag2S(NO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654329.

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                    The Materials Project. Materials Data on Ag2S(NO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654329

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                    The Materials Project. 2020.  
"Materials Data on Ag2S(NO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654329.  https://www.osti.gov/servlets/purl/1654329. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1654329,

  title        = {Materials Data on Ag2S(NO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2S(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N1+ atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) Ag–N bond lengths. In the second Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to two N1+ and two O2- atoms. There are one shorter (2.09 Å) and one longer (2.13 Å) Ag–N bond lengths. There are one shorter (2.26 Å) and one longer (2.45 Å) Ag–O bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. In the second N1+ site, N1+ is bonded in a 1-coordinate geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. S2- is bonded in a tetrahedral geometry to two N1+ and two O2- atoms. Both S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag2+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one S2- atom.},

  doi          = {10.17188/1654329},

  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/10.17188/1654329

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Materials Data on Ag2S by Materials Project

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Ag2S crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.61–2.84 Å. S2- is bonded to eight equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing SAg8 hexagonal bipyramids.
Materials Data on Ag2S by Materials Project

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Ag2S crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.60 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.64 Å. S2- is bonded in a 6-coordinate geometry to six Ag1+ atoms.
Materials Data on Ag2S by Materials Project

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Ag2S crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–2.82 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. There are one shorter (2.42 Å) and one longer (2.43 Å) Ag–S bond lengths. S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.
Materials Data on Ag2S by Materials Project

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Ag2S crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two S2- atoms. There are one shorter (2.45 Å) and one longer (2.48 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–2.74 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four S2- atoms. There are amore »« less
Materials Data on Ag2S by Materials Project

Dataset The Materials Project

Ag2S crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.44 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are two shorter (2.51 Å) and one longer (2.77 Å) Ag–S bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are two shorter (2.51 Å) and one longer (2.75 Å)more »« less

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