Materials Data on TlCuO2 by Materials Project

doi:10.17188/1317147

Title: Materials Data on TlCuO2 by Materials Project

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Abstract

CuTlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Cu1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OTl3Cu tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-997029

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; TlCuO2; Cu-O-Tl

OSTI Identifier:: 1317147

DOI:: https://doi.org/10.17188/1317147

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                    The Materials Project. Materials Data on TlCuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317147.

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                    The Materials Project. Materials Data on TlCuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317147

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                    The Materials Project. 2020.  
"Materials Data on TlCuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317147.  https://www.osti.gov/servlets/purl/1317147. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1317147,

  title        = {Materials Data on TlCuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuTlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Cu1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OTl3Cu tetrahedra.},

  doi          = {10.17188/1317147},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317147

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