Materials Data on CuTeAs by Materials Project

doi:10.17188/1747194

Title: Materials Data on CuTeAs by Materials Project

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Abstract

CuAsTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to one As1- and three equivalent Te1- atoms to form CuTe3As tetrahedra that share a cornercorner with one TeCu3As tetrahedra, corners with five equivalent AsCuTeAs2 tetrahedra, and corners with six equivalent CuTe3As tetrahedra. The Cu–As bond length is 2.40 Å. There are two shorter (2.56 Å) and one longer (2.60 Å) Cu–Te bond lengths. As1- is bonded to one Cu2+, two equivalent As1-, and one Te1- atom to form distorted AsCuTeAs2 tetrahedra that share corners with two equivalent AsCuTeAs2 tetrahedra, corners with five equivalent CuTe3As tetrahedra, and corners with five equivalent TeCu3As tetrahedra. Both As–As bond lengths are 2.59 Å. The As–Te bond length is 2.66 Å. Te1- is bonded to three equivalent Cu2+ and one As1- atom to form TeCu3As tetrahedra that share a cornercorner with one CuTe3As tetrahedra, corners with five equivalent AsCuTeAs2 tetrahedra, and corners with six equivalent TeCu3As tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1184180

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; CuTeAs; As-Cu-Te

OSTI Identifier:: 1747194

DOI:: https://doi.org/10.17188/1747194

Citation Formats


                    The Materials Project. Materials Data on CuTeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747194.

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                    The Materials Project. Materials Data on CuTeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1747194

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                    The Materials Project. 2020.  
"Materials Data on CuTeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1747194.  https://www.osti.gov/servlets/purl/1747194. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1747194,

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

  author       = {The Materials Project},

  abstractNote = {CuAsTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to one As1- and three equivalent Te1- atoms to form CuTe3As tetrahedra that share a cornercorner with one TeCu3As tetrahedra, corners with five equivalent AsCuTeAs2 tetrahedra, and corners with six equivalent CuTe3As tetrahedra. The Cu–As bond length is 2.40 Å. There are two shorter (2.56 Å) and one longer (2.60 Å) Cu–Te bond lengths. As1- is bonded to one Cu2+, two equivalent As1-, and one Te1- atom to form distorted AsCuTeAs2 tetrahedra that share corners with two equivalent AsCuTeAs2 tetrahedra, corners with five equivalent CuTe3As tetrahedra, and corners with five equivalent TeCu3As tetrahedra. Both As–As bond lengths are 2.59 Å. The As–Te bond length is 2.66 Å. Te1- is bonded to three equivalent Cu2+ and one As1- atom to form TeCu3As tetrahedra that share a cornercorner with one CuTe3As tetrahedra, corners with five equivalent AsCuTeAs2 tetrahedra, and corners with six equivalent TeCu3As tetrahedra.},

  doi          = {10.17188/1747194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1747194

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