Materials Data on AgSe5 by Materials Project

doi:10.17188/1746983

Title: Materials Data on AgSe5 by Materials Project

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Abstract

AgSe5 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two AgSe5 ribbons oriented in the (0, 0, 1) direction. Ag2+ is bonded to four Se+0.40- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.56–2.89 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a distorted L-shaped geometry to two equivalent Ag2+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the third Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 1-coordinate geometry to one Ag2+ and two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a distorted single-bond geometry to one Ag2+ and one Se+0.40- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1101086

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; AgSe5; Ag-Se

OSTI Identifier:: 1746983

DOI:: https://doi.org/10.17188/1746983

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                    The Materials Project. Materials Data on AgSe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746983.

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                    The Materials Project. Materials Data on AgSe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746983

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                    The Materials Project. 2020.  
"Materials Data on AgSe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746983.  https://www.osti.gov/servlets/purl/1746983. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746983,

  title        = {Materials Data on AgSe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgSe5 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two AgSe5 ribbons oriented in the (0, 0, 1) direction. Ag2+ is bonded to four Se+0.40- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.56–2.89 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a distorted L-shaped geometry to two equivalent Ag2+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the third Se+0.40- site, Se+0.40- is bonded in a distorted water-like geometry to two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 1-coordinate geometry to one Ag2+ and two Se+0.40- atoms. The Se–Se bond length is 2.33 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a distorted single-bond geometry to one Ag2+ and one Se+0.40- atom.},

  doi          = {10.17188/1746983},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746983

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