Materials Data on Ti3TlN by Materials Project

doi:10.17188/1317062

Title: Materials Data on Ti3TlN by Materials Project

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Abstract

Ti3TlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Tl and two equivalent N atoms. All Ti–Tl bond lengths are 2.98 Å. Both Ti–N bond lengths are 2.11 Å. Tl is bonded to twelve equivalent Ti atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent TlTi12 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with eight equivalent NTi6 octahedra. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent NTi6 octahedra and faces with eight equivalent TlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-9964

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; Ti3TlN; N-Ti-Tl

OSTI Identifier:: 1317062

DOI:: https://doi.org/10.17188/1317062

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                    The Materials Project. Materials Data on Ti3TlN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317062.

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                    The Materials Project. Materials Data on Ti3TlN by Materials Project.  United States.  doi:https://doi.org/10.17188/1317062

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                    The Materials Project. 2020.  
"Materials Data on Ti3TlN by Materials Project".  United States.  doi:https://doi.org/10.17188/1317062.  https://www.osti.gov/servlets/purl/1317062. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1317062,

  title        = {Materials Data on Ti3TlN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3TlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Tl and two equivalent N atoms. All Ti–Tl bond lengths are 2.98 Å. Both Ti–N bond lengths are 2.11 Å. Tl is bonded to twelve equivalent Ti atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent TlTi12 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with eight equivalent NTi6 octahedra. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent NTi6 octahedra and faces with eight equivalent TlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1317062},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317062

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