Materials Data on ErAg(PSe3)2 by Materials Project

doi:10.17188/1189557

Title: Materials Data on ErAg(PSe3)2 by Materials Project

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Abstract

ErAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ErAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Er–Se bond lengths are 2.86 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent ErSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.21 Å. Se2- is bonded in a 3-coordinate geometry to one Er3+, one Ag1+, and one P4+ atom.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-13384

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; ErAg(PSe3)2; Ag-Er-P-Se

OSTI Identifier:: 1189557

DOI:: https://doi.org/10.17188/1189557

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                    The Materials Project. Materials Data on ErAg(PSe3)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1189557.

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                    The Materials Project. Materials Data on ErAg(PSe3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189557

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                    The Materials Project. 2017.  
"Materials Data on ErAg(PSe3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189557.  https://www.osti.gov/servlets/purl/1189557. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1189557,

  title        = {Materials Data on ErAg(PSe3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ErAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Er–Se bond lengths are 2.86 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent ErSe6 octahedra. All Ag–Se bond lengths are 2.95 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.21 Å. Se2- is bonded in a 3-coordinate geometry to one Er3+, one Ag1+, and one P4+ atom.},

  doi          = {10.17188/1189557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1189557

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