Materials Data on Ti5CuSb2 by Materials Project

doi:10.17188/1189332

Title: Materials Data on Ti5CuSb2 by Materials Project

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Abstract

CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Cu and four equivalent Sb atoms. Both Ti–Cu bond lengths are 2.70 Å. There are two shorter (2.79 Å) and two longer (3.01 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-13020

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; Ti5CuSb2; Cu-Sb-Ti

OSTI Identifier:: 1189332

DOI:: https://doi.org/10.17188/1189332

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                    The Materials Project. Materials Data on Ti5CuSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189332.

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                    The Materials Project. Materials Data on Ti5CuSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189332

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                    The Materials Project. 2020.  
"Materials Data on Ti5CuSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189332.  https://www.osti.gov/servlets/purl/1189332. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1189332,

  title        = {Materials Data on Ti5CuSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Cu and four equivalent Sb atoms. Both Ti–Cu bond lengths are 2.70 Å. There are two shorter (2.79 Å) and two longer (3.01 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.},

  doi          = {10.17188/1189332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189332

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