Materials Data on Ag(Te5Au2)2 by Materials Project

doi:10.17188/1674633

Title: Materials Data on Ag(Te5Au2)2 by Materials Project

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Abstract

(AuTe2)4AgTe2 is Calaverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one AgTe2 sheet oriented in the (0, 0, 1) direction and four AuTe2 sheets oriented in the (0, 0, 1) direction. In the AgTe2 sheet, Ag1+ is bonded to six equivalent Te+1.40- atoms to form edge-sharing AgTe6 octahedra. There are two shorter (2.80 Å) and four longer (2.95 Å) Ag–Te bond lengths. Te+1.40- is bonded in a 6-coordinate geometry to three equivalent Ag1+ atoms. In each AuTe2 sheet, Au+3.25+ is bonded to six Te+1.40- atoms to form edge-sharing AuTe6 octahedra. There are a spread of Au–Te bond distances ranging from 2.77–2.95 Å. There are two inequivalent Te+1.40- sites. In the first Te+1.40- site, Te+1.40- is bonded in a 3-coordinate geometry to three equivalent Au+3.25+ atoms. In the second Te+1.40- site, Te+1.40- is bonded in a 3-coordinate geometry to three equivalent Au+3.25+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1229158

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; Ag(Te5Au2)2; Ag-Au-Te

OSTI Identifier:: 1674633

DOI:: https://doi.org/10.17188/1674633

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                    The Materials Project. Materials Data on Ag(Te5Au2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674633.

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                    The Materials Project. Materials Data on Ag(Te5Au2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674633

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                    The Materials Project. 2019.  
"Materials Data on Ag(Te5Au2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674633.  https://www.osti.gov/servlets/purl/1674633. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1674633,

  title        = {Materials Data on Ag(Te5Au2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(AuTe2)4AgTe2 is Calaverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one AgTe2 sheet oriented in the (0, 0, 1) direction and four AuTe2 sheets oriented in the (0, 0, 1) direction. In the AgTe2 sheet, Ag1+ is bonded to six equivalent Te+1.40- atoms to form edge-sharing AgTe6 octahedra. There are two shorter (2.80 Å) and four longer (2.95 Å) Ag–Te bond lengths. Te+1.40- is bonded in a 6-coordinate geometry to three equivalent Ag1+ atoms. In each AuTe2 sheet, Au+3.25+ is bonded to six Te+1.40- atoms to form edge-sharing AuTe6 octahedra. There are a spread of Au–Te bond distances ranging from 2.77–2.95 Å. There are two inequivalent Te+1.40- sites. In the first Te+1.40- site, Te+1.40- is bonded in a 3-coordinate geometry to three equivalent Au+3.25+ atoms. In the second Te+1.40- site, Te+1.40- is bonded in a 3-coordinate geometry to three equivalent Au+3.25+ atoms.},

  doi          = {10.17188/1674633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1674633

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