Materials Data on Zr10CrSb5 by Materials Project

doi:10.17188/1675966

Title: Materials Data on Zr10CrSb5 by Materials Project

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Abstract

Zr10CrSb5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to one Cr and five Sb atoms. The Zr–Cr bond length is 2.87 Å. There are a spread of Zr–Sb bond distances ranging from 2.94–3.32 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Zr and four equivalent Sb atoms. Both Zr–Zr bond lengths are 2.79 Å. All Zr–Sb bond lengths are 2.94 Å. Cr is bonded in a distorted q6 geometry to eight equivalent Zr and two equivalent Sb atoms. Both Cr–Sb bond lengths are 2.79 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Zr atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Zr and two equivalent Cr atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215707

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; Zr10CrSb5; Cr-Sb-Zr

OSTI Identifier:: 1675966

DOI:: https://doi.org/10.17188/1675966

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                    The Materials Project. Materials Data on Zr10CrSb5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1675966.

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                    The Materials Project. Materials Data on Zr10CrSb5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675966

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                    The Materials Project. 2019.  
"Materials Data on Zr10CrSb5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675966.  https://www.osti.gov/servlets/purl/1675966. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1675966,

  title        = {Materials Data on Zr10CrSb5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr10CrSb5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to one Cr and five Sb atoms. The Zr–Cr bond length is 2.87 Å. There are a spread of Zr–Sb bond distances ranging from 2.94–3.32 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Zr and four equivalent Sb atoms. Both Zr–Zr bond lengths are 2.79 Å. All Zr–Sb bond lengths are 2.94 Å. Cr is bonded in a distorted q6 geometry to eight equivalent Zr and two equivalent Sb atoms. Both Cr–Sb bond lengths are 2.79 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Zr atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Zr and two equivalent Cr atoms.},

  doi          = {10.17188/1675966},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1675966

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