Materials Data on AgW3Br7 by Materials Project

doi:10.17188/1204190

Title: Materials Data on AgW3Br7 by Materials Project

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Abstract

W3AgBr7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are four shorter (2.65 Å) and one longer (2.66 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. In the third W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. Ag1+ is bonded in a distorted trigonal planar geometry to four Br1- atoms. There are a spread of Ag–Br bond distances ranging from 2.63–3.62 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three W2+ atoms. In the second Br1- site, Br1- is bonded in a 8-coordinate geometry to three W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Ag1+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-29718

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; AgW3Br7; Ag-Br-W

OSTI Identifier:: 1204190

DOI:: https://doi.org/10.17188/1204190

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                    The Materials Project. Materials Data on AgW3Br7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204190.

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                    The Materials Project. Materials Data on AgW3Br7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204190

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                    The Materials Project. 2020.  
"Materials Data on AgW3Br7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204190.  https://www.osti.gov/servlets/purl/1204190. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1204190,

  title        = {Materials Data on AgW3Br7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W3AgBr7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are four shorter (2.65 Å) and one longer (2.66 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. In the third W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. Ag1+ is bonded in a distorted trigonal planar geometry to four Br1- atoms. There are a spread of Ag–Br bond distances ranging from 2.63–3.62 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three W2+ atoms. In the second Br1- site, Br1- is bonded in a 8-coordinate geometry to three W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Ag1+ atom. In the fourth Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Ag1+ atom. In the fifth Br1- site, Br1- is bonded in a water-like geometry to one W2+ and one Ag1+ atom. In the sixth Br1- site, Br1- is bonded in a 8-coordinate geometry to three W2+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to three W2+ and one Ag1+ atom.},

  doi          = {10.17188/1204190},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204190

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