Materials Data on K2Cu2Te5 by Materials Project

doi:10.17188/1204279

Title: Materials Data on K2Cu2Te5 by Materials Project

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Abstract

K2Cu2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Te+0.80- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.86 Å. Cu1+ is bonded to four Te+0.80- atoms to form a mixture of distorted edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.63–2.67 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 7-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.88 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.86 Å. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Te+0.80- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-29828

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; K2Cu2Te5; Cu-K-Te

OSTI Identifier:: 1204279

DOI:: https://doi.org/10.17188/1204279

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                    The Materials Project. Materials Data on K2Cu2Te5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204279.

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                    The Materials Project. Materials Data on K2Cu2Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204279

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                    The Materials Project. 2020.  
"Materials Data on K2Cu2Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204279.  https://www.osti.gov/servlets/purl/1204279. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204279,

  title        = {Materials Data on K2Cu2Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Cu2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten Te+0.80- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.86 Å. Cu1+ is bonded to four Te+0.80- atoms to form a mixture of distorted edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.63–2.67 Å. There are three inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 7-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.88 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 2-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and one Te+0.80- atom. The Te–Te bond length is 2.86 Å. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Te+0.80- atoms.},

  doi          = {10.17188/1204279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204279

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