Materials Data on Ti2CuSb3 by Materials Project

doi:10.17188/1262766

Title: Materials Data on Ti2CuSb3 by Materials Project

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Abstract

Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ti–Sb bond distances ranging from 2.85–3.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Ti4+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Ti4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbTi4Cu4 hexagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-505804

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; Ti2CuSb3; Cu-Sb-Ti

OSTI Identifier:: 1262766

DOI:: https://doi.org/10.17188/1262766

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                    The Materials Project. Materials Data on Ti2CuSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262766.

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                    The Materials Project. Materials Data on Ti2CuSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262766

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                    The Materials Project. 2020.  
"Materials Data on Ti2CuSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262766.  https://www.osti.gov/servlets/purl/1262766. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262766,

  title        = {Materials Data on Ti2CuSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ti–Sb bond distances ranging from 2.85–3.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.69 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Ti4+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Ti4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbTi4Cu4 hexagonal bipyramids.},

  doi          = {10.17188/1262766},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262766

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