Materials Data on CuAgTe2 by Materials Project

doi:10.17188/1204231

Title: Materials Data on CuAgTe2 by Materials Project

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Abstract

AgCuTe2 is Vulcanite-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one AgCuTe2 sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Ag1+, four equivalent Cu2+, and four Te+1.50- atoms. Both Ag–Ag bond lengths are 3.15 Å. All Ag–Cu bond lengths are 2.81 Å. There are two shorter (2.76 Å) and two longer (2.95 Å) Ag–Te bond lengths. Cu2+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four Te+1.50- atoms. There are two shorter (2.67 Å) and two longer (3.07 Å) Cu–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-2977

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; CuAgTe2; Ag-Cu-Te

OSTI Identifier:: 1204231

DOI:: https://doi.org/10.17188/1204231

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                    The Materials Project. Materials Data on CuAgTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204231.

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                    The Materials Project. Materials Data on CuAgTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204231

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                    The Materials Project. 2020.  
"Materials Data on CuAgTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204231.  https://www.osti.gov/servlets/purl/1204231. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204231,

  title        = {Materials Data on CuAgTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgCuTe2 is Vulcanite-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one AgCuTe2 sheet oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Ag1+, four equivalent Cu2+, and four Te+1.50- atoms. Both Ag–Ag bond lengths are 3.15 Å. All Ag–Cu bond lengths are 2.81 Å. There are two shorter (2.76 Å) and two longer (2.95 Å) Ag–Te bond lengths. Cu2+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four Te+1.50- atoms. There are two shorter (2.67 Å) and two longer (3.07 Å) Cu–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Cu2+, and two equivalent Te+1.50- atoms. Both Te–Te bond lengths are 3.15 Å.},

  doi          = {10.17188/1204231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204231

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