Materials Data on AgSbS(OF3)2 by Materials Project

doi:10.17188/1753855

Title: Materials Data on AgSbS(OF3)2 by Materials Project

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Abstract

AgSbS(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (2.64 Å) and one longer (2.67 Å) Ag–O bond lengths. There are a spread of Ag–F bond distances ranging from 2.55–2.85 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. S6+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the third F1- site, F1- is bonded inmore »« less

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

Other Number(s):: mp-1199019

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ag-F-O-S-Sb; AgSbS(OF3)2; crystal structure

OSTI Identifier:: 1753855

DOI:: https://doi.org/10.17188/1753855

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                    Materials Data on AgSbS(OF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753855.

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                    Materials Data on AgSbS(OF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753855

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                    2020.  
"Materials Data on AgSbS(OF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753855.  https://www.osti.gov/servlets/purl/1753855. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1753855,

  title        = {Materials Data on AgSbS(OF3)2 by Materials Project},

  
  abstractNote = {AgSbS(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (2.64 Å) and one longer (2.67 Å) Ag–O bond lengths. There are a spread of Ag–F bond distances ranging from 2.55–2.85 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. S6+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Ag1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom.},

  doi          = {10.17188/1753855},

  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/10.17188/1753855

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