Materials Data on CuTe2Cl by Materials Project

doi:10.17188/1205307

Title: Materials Data on CuTe2Cl by Materials Project

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Abstract

CuTe2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to two Te1- and two equivalent Cl1- atoms to form distorted corner-sharing CuTe2Cl2 tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Cu–Te bond lengths. Both Cu–Cl bond lengths are 2.35 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to one Cu3+, two equivalent Te1-, and two equivalent Cl1- atoms. There are one shorter (2.73 Å) and one longer (2.89 Å) Te–Te bond lengths. There are one shorter (3.52 Å) and one longer (3.56 Å) Te–Cl bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ and two equivalent Te1- atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Cu3+ and two equivalent Te1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-30971

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; CuTe2Cl; Cl-Cu-Te

OSTI Identifier:: 1205307

DOI:: https://doi.org/10.17188/1205307

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                    The Materials Project. Materials Data on CuTe2Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205307.

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                    The Materials Project. Materials Data on CuTe2Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1205307

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                    The Materials Project. 2020.  
"Materials Data on CuTe2Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1205307.  https://www.osti.gov/servlets/purl/1205307. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1205307,

  title        = {Materials Data on CuTe2Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuTe2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to two Te1- and two equivalent Cl1- atoms to form distorted corner-sharing CuTe2Cl2 tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Cu–Te bond lengths. Both Cu–Cl bond lengths are 2.35 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to one Cu3+, two equivalent Te1-, and two equivalent Cl1- atoms. There are one shorter (2.73 Å) and one longer (2.89 Å) Te–Te bond lengths. There are one shorter (3.52 Å) and one longer (3.56 Å) Te–Cl bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ and two equivalent Te1- atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Cu3+ and two equivalent Te1- atoms.},

  doi          = {10.17188/1205307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1205307

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