Materials Data on AgSb(S8F3)2 by Materials Project

doi:10.17188/1270940

Title: Materials Data on AgSb(S8F3)2 by Materials Project

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Abstract

AgSb(S8F3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AgSb(S8F3)2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 6-coordinate geometry to four S and two equivalent F1- atoms. There are two shorter (2.73 Å) and two longer (2.81 Å) Ag–S bond lengths. Both Ag–F bond lengths are 3.19 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are eight inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-559602

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; AgSb(S8F3)2; Ag-F-S-Sb

OSTI Identifier:: 1270940

DOI:: https://doi.org/10.17188/1270940

Citation Formats


                    The Materials Project. Materials Data on AgSb(S8F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270940.

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                    The Materials Project. Materials Data on AgSb(S8F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270940

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                    The Materials Project. 2020.  
"Materials Data on AgSb(S8F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270940.  https://www.osti.gov/servlets/purl/1270940. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1270940,

  title        = {Materials Data on AgSb(S8F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgSb(S8F3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AgSb(S8F3)2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 6-coordinate geometry to four S and two equivalent F1- atoms. There are two shorter (2.73 Å) and two longer (2.81 Å) Ag–S bond lengths. Both Ag–F bond lengths are 3.19 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are eight inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the fifth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.08 Å. In the sixth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. In the eighth S site, S is bonded in a water-like geometry to two S atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one Sb5+ atom.},

  doi          = {10.17188/1270940},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1270940

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