Materials Data on Ag3SBr by Materials Project

doi:10.17188/1706973

Title: Materials Data on Ag3SBr by Materials Project

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Abstract

Ag3SBr crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. There are one shorter (2.94 Å) and one longer (3.20 Å) Ag–Br bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.11 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.10 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1229116

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; Ag3SBr; Ag-Br-S

OSTI Identifier:: 1706973

DOI:: https://doi.org/10.17188/1706973

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                    The Materials Project. Materials Data on Ag3SBr by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1706973.

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                    The Materials Project. Materials Data on Ag3SBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1706973

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                    The Materials Project. 2019.  
"Materials Data on Ag3SBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1706973.  https://www.osti.gov/servlets/purl/1706973. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1706973,

  title        = {Materials Data on Ag3SBr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3SBr crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. There are one shorter (2.94 Å) and one longer (3.20 Å) Ag–Br bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.11 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.10 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.},

  doi          = {10.17188/1706973},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1706973

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