Materials Data on Zr2CuSb3 by Materials Project

doi:10.17188/1191859

Title: Materials Data on Zr2CuSb3 by Materials Project

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Abstract

Zr2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.11 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.78 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Zr4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbZr4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-09

Other Number(s):: mp-16421

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; Zr2CuSb3; Cu-Sb-Zr

OSTI Identifier:: 1191859

DOI:: https://doi.org/10.17188/1191859

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                    The Materials Project. Materials Data on Zr2CuSb3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1191859.

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                    The Materials Project. Materials Data on Zr2CuSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191859

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                    The Materials Project. 2017.  
"Materials Data on Zr2CuSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191859.  https://www.osti.gov/servlets/purl/1191859. Pub date:Tue May 09 00:00:00 EDT 2017

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@article{osti_1191859,

  title        = {Materials Data on Zr2CuSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 2.96–3.11 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.78 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Zr4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and face-sharing SbZr4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms.},

  doi          = {10.17188/1191859},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1191859

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