Materials Data on AgSb(SeF3)2 by Materials Project

doi:10.17188/1747801

Title: Materials Data on AgSb(SeF3)2 by Materials Project

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Abstract

AgSbF6(Se)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twenty-four selen molecules and one AgSbF6 framework. In the AgSbF6 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted single-bond geometry to one F1- atom. The Ag–F bond length is 3.23 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.45–2.70 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. In the third Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to onemore »« less

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1202255

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-Sb-Se; AgSb(SeF3)2; crystal structure

OSTI Identifier:: 1747801

DOI:: https://doi.org/10.17188/1747801

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                    Materials Data on AgSb(SeF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747801.

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                    Materials Data on AgSb(SeF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747801

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                    2020.  
"Materials Data on AgSb(SeF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747801.  https://www.osti.gov/servlets/purl/1747801. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1747801,

  title        = {Materials Data on AgSb(SeF3)2 by Materials Project},

  
  abstractNote = {AgSbF6(Se)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twenty-four selen molecules and one AgSbF6 framework. In the AgSbF6 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted single-bond geometry to one F1- atom. The Ag–F bond length is 3.23 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.45–2.70 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. In the third Sb3+ site, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees 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 single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted linear geometry to one Ag1+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one Sb3+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom.},

  doi          = {10.17188/1747801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1747801

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