Materials Data on ErAgTe2 by Materials Project

doi:10.17188/1189256

Title: Materials Data on ErAgTe2 by Materials Project

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Abstract

ErAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with eight equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Er–Te bond distances ranging from 3.03–3.16 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-12902

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; ErAgTe2; Ag-Er-Te

OSTI Identifier:: 1189256

DOI:: https://doi.org/10.17188/1189256

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                    The Materials Project. Materials Data on ErAgTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189256.

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                    The Materials Project. Materials Data on ErAgTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189256

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                    The Materials Project. 2020.  
"Materials Data on ErAgTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189256.  https://www.osti.gov/servlets/purl/1189256. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1189256,

  title        = {Materials Data on ErAgTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with eight equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. There are a spread of Er–Te bond distances ranging from 3.03–3.16 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.90 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ag1+ atoms.},

  doi          = {10.17188/1189256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189256

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