Materials Data on CsTlO2 by Materials Project

doi:10.17188/1678097

Title: Materials Data on CsTlO2 by Materials Project

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Abstract

CsTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.03 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.39 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Tl3+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1178388

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; CsTlO2; Cs-O-Tl

OSTI Identifier:: 1678097

DOI:: https://doi.org/10.17188/1678097

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                    The Materials Project. Materials Data on CsTlO2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678097.

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                    The Materials Project. Materials Data on CsTlO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678097

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                    The Materials Project. 2019.  
"Materials Data on CsTlO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678097.  https://www.osti.gov/servlets/purl/1678097. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1678097,

  title        = {Materials Data on CsTlO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.03 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.39 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Tl3+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.},

  doi          = {10.17188/1678097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1678097

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