Materials Data on Zr2Te2P by Materials Project

doi:10.17188/1192152

Title: Materials Data on Zr2Te2P by Materials Project

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Abstract

Zr2PTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Zr2PTe2 sheets oriented in the (0, 0, 1) direction. Zr+3.50+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form a mixture of edge and corner-sharing ZrTe3P3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–P bond lengths are 2.65 Å. All Zr–Te bond lengths are 2.92 Å. P3- is bonded to six equivalent Zr+3.50+ atoms to form edge-sharing PZr6 octahedra. Te2- is bonded in a 3-coordinate geometry to three equivalent Zr+3.50+ atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-16765

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; P-Te-Zr; Zr2Te2P; crystal structure

OSTI Identifier:: 1192152

DOI:: https://doi.org/10.17188/1192152

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                    Materials Data on Zr2Te2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192152.

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                    Materials Data on Zr2Te2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1192152

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                    2020.  
"Materials Data on Zr2Te2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1192152.  https://www.osti.gov/servlets/purl/1192152. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1192152,

  title        = {Materials Data on Zr2Te2P by Materials Project},

  
  abstractNote = {Zr2PTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Zr2PTe2 sheets oriented in the (0, 0, 1) direction. Zr+3.50+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form a mixture of edge and corner-sharing ZrTe3P3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–P bond lengths are 2.65 Å. All Zr–Te bond lengths are 2.92 Å. P3- is bonded to six equivalent Zr+3.50+ atoms to form edge-sharing PZr6 octahedra. Te2- is bonded in a 3-coordinate geometry to three equivalent Zr+3.50+ atoms.},

  doi          = {10.17188/1192152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192152

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