Materials Data on Cu2Te2Cl2O5 by Materials Project

doi:10.17188/1276829

Title: Materials Data on Cu2Te2Cl2O5 by Materials Project

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Abstract

Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.65 Å. The Cu–Cl bond length is 2.24 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-581276

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; Cu2Te2Cl2O5; Cl-Cu-O-Te

OSTI Identifier:: 1276829

DOI:: https://doi.org/10.17188/1276829

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                    The Materials Project. Materials Data on Cu2Te2Cl2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276829.

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                    The Materials Project. Materials Data on Cu2Te2Cl2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276829

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                    The Materials Project. 2020.  
"Materials Data on Cu2Te2Cl2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276829.  https://www.osti.gov/servlets/purl/1276829. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1276829,

  title        = {Materials Data on Cu2Te2Cl2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.65 Å. The Cu–Cl bond length is 2.24 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.},

  doi          = {10.17188/1276829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276829

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