Materials Data on Ba(CuTe)2 by Materials Project

doi:10.17188/1204553

Title: Materials Data on Ba(CuTe)2 by Materials Project

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Abstract

BaCu2Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.43–3.62 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.66–2.72 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.62–2.80 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-30133

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; Ba(CuTe)2; Ba-Cu-Te

OSTI Identifier:: 1204553

DOI:: https://doi.org/10.17188/1204553

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                    The Materials Project. Materials Data on Ba(CuTe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204553.

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                    The Materials Project. Materials Data on Ba(CuTe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204553

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                    The Materials Project. 2020.  
"Materials Data on Ba(CuTe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204553.  https://www.osti.gov/servlets/purl/1204553. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1204553,

  title        = {Materials Data on Ba(CuTe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaCu2Te2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.43–3.62 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.66–2.72 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.62–2.80 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four Cu1+ atoms.},

  doi          = {10.17188/1204553},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204553

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