Materials Data on TmAg(PSe3)2 by Materials Project

doi:10.17188/1189558

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

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Abstract

TmAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two TmAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded to six equivalent Se2- atoms to form TmSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Tm–Se bond lengths are 2.85 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent TmSe6 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 Tm3+, one Ag1+, and one P4+ atom.

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13385

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ag-P-Se-Tm; TmAg(PSe3)2; crystal structure

OSTI Identifier:: 1189558

DOI:: https://doi.org/10.17188/1189558

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                    Materials Data on TmAg(PSe3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189558.

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                    Materials Data on TmAg(PSe3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189558

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                    2020.  
"Materials Data on TmAg(PSe3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189558.  https://www.osti.gov/servlets/purl/1189558. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189558,

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

  
  abstractNote = {TmAg(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two TmAg(PSe3)2 sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded to six equivalent Se2- atoms to form TmSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Tm–Se bond lengths are 2.85 Å. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent TmSe6 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 Tm3+, one Ag1+, and one P4+ atom.},

  doi          = {10.17188/1189558},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189558

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