Materials Data on Ag(W3Br7)2 by Materials Project

doi:10.17188/1204189

Title: Materials Data on Ag(W3Br7)2 by Materials Project

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Abstract

Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-29717

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; Ag(W3Br7)2; Ag-Br-W

OSTI Identifier:: 1204189

DOI:: https://doi.org/10.17188/1204189

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                    The Materials Project. Materials Data on Ag(W3Br7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204189.

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                    The Materials Project. Materials Data on Ag(W3Br7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204189

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                    The Materials Project. 2020.  
"Materials Data on Ag(W3Br7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204189.  https://www.osti.gov/servlets/purl/1204189. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1204189,

  title        = {Materials Data on Ag(W3Br7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.},

  doi          = {10.17188/1204189},

  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/10.17188/1204189

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