Materials Data on CuTe2I by Materials Project

doi:10.17188/1205366

Title: Materials Data on CuTe2I by Materials Project

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Abstract

CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-31037

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; CuTe2I; Cu-I-Te

OSTI Identifier:: 1205366

DOI:: https://doi.org/10.17188/1205366

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                    The Materials Project. Materials Data on CuTe2I by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205366.

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                    The Materials Project. Materials Data on CuTe2I by Materials Project.  United States.  doi:https://doi.org/10.17188/1205366

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                    The Materials Project. 2020.  
"Materials Data on CuTe2I by Materials Project".  United States.  doi:https://doi.org/10.17188/1205366.  https://www.osti.gov/servlets/purl/1205366. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1205366,

  title        = {Materials Data on CuTe2I by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.},

  doi          = {10.17188/1205366},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205366

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