Materials Data on AgSe3I by Materials Project

doi:10.17188/1274912

Title: Materials Data on AgSe3I by Materials Project

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Abstract

AgSe3I crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one AgSe3I sheet oriented in the (1, 0, 0) direction. Ag1+ is bonded to two equivalent Se and two equivalent I1- atoms to form corner-sharing AgSe2I2 tetrahedra. Both Ag–Se bond lengths are 2.70 Å. Both Ag–I bond lengths are 2.87 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Ag1+ and one Se atom. The Se–Se bond length is 2.39 Å. In the second Se site, Se is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se and two equivalent I1- atoms. Both Se–I bond lengths are 3.78 Å. I1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ag1+ and two equivalent Se atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-569052

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; AgSe3I; Ag-I-Se

OSTI Identifier:: 1274912

DOI:: https://doi.org/10.17188/1274912

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                    The Materials Project. Materials Data on AgSe3I by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274912.

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                    The Materials Project. Materials Data on AgSe3I by Materials Project.  United States.  doi:https://doi.org/10.17188/1274912

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                    The Materials Project. 2020.  
"Materials Data on AgSe3I by Materials Project".  United States.  doi:https://doi.org/10.17188/1274912.  https://www.osti.gov/servlets/purl/1274912. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1274912,

  title        = {Materials Data on AgSe3I by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgSe3I crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one AgSe3I sheet oriented in the (1, 0, 0) direction. Ag1+ is bonded to two equivalent Se and two equivalent I1- atoms to form corner-sharing AgSe2I2 tetrahedra. Both Ag–Se bond lengths are 2.70 Å. Both Ag–I bond lengths are 2.87 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to one Ag1+ and one Se atom. The Se–Se bond length is 2.39 Å. In the second Se site, Se is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se and two equivalent I1- atoms. Both Se–I bond lengths are 3.78 Å. I1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ag1+ and two equivalent Se atoms.},

  doi          = {10.17188/1274912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274912

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