Materials Data on NiAgTe2 by Materials Project

doi:10.17188/1315351

Title: Materials Data on NiAgTe2 by Materials Project

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Abstract

NiAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni3+ is bonded to six Te2- atoms to form edge-sharing NiTe6 octahedra. There are three shorter (2.63 Å) and three longer (2.67 Å) Ni–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.70 Å) and three longer (2.89 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ni3+ and one Ag1+ atom to form distorted corner-sharing TeNi3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Ni3+ and three equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-976804

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; NiAgTe2; Ag-Ni-Te

OSTI Identifier:: 1315351

DOI:: https://doi.org/10.17188/1315351

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                    The Materials Project. Materials Data on NiAgTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315351.

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                    The Materials Project. Materials Data on NiAgTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315351

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                    The Materials Project. 2020.  
"Materials Data on NiAgTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315351.  https://www.osti.gov/servlets/purl/1315351. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1315351,

  title        = {Materials Data on NiAgTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni3+ is bonded to six Te2- atoms to form edge-sharing NiTe6 octahedra. There are three shorter (2.63 Å) and three longer (2.67 Å) Ni–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.70 Å) and three longer (2.89 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ni3+ and one Ag1+ atom to form distorted corner-sharing TeNi3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Ni3+ and three equivalent Ag1+ atoms.},

  doi          = {10.17188/1315351},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315351

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