Materials Data on Cu3(TeO5)2 by Materials Project

doi:10.17188/1289740

Title: Materials Data on Cu3(TeO5)2 by Materials Project

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Abstract

Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cu3(TeO5)2 ribbon oriented in the (1, 1, 0) direction. there are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (2.11 Å) Cu–O bond length. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.51–2.17 Å. Te6+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.39–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.67+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Cu+2.67+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cu+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bondmore » geometry to one Te6+ atom.« less

Authors:: The Materials Project

Publication Date:: 2014-05-08

Other Number(s):: mp-755032

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; Cu3(TeO5)2; Cu-O-Te

OSTI Identifier:: 1289740

DOI:: https://doi.org/10.17188/1289740

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                    The Materials Project. Materials Data on Cu3(TeO5)2 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1289740.

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                    The Materials Project. Materials Data on Cu3(TeO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289740

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                    The Materials Project. 2014.  
"Materials Data on Cu3(TeO5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289740.  https://www.osti.gov/servlets/purl/1289740. Pub date:Thu May 08 00:00:00 EDT 2014

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@article{osti_1289740,

  title        = {Materials Data on Cu3(TeO5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cu3(TeO5)2 ribbon oriented in the (1, 1, 0) direction. there are two inequivalent Cu+2.67+ sites. In the first Cu+2.67+ site, Cu+2.67+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (2.11 Å) Cu–O bond length. In the second Cu+2.67+ site, Cu+2.67+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.51–2.17 Å. Te6+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.39–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cu+2.67+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Cu+2.67+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cu+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Te6+ atom.},

  doi          = {10.17188/1289740},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289740

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