Materials Data on Zr11Sb18 by Materials Project

doi:10.17188/1266372

Title: Materials Data on Zr11Sb18 by Materials Project

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Abstract

Zr11Sb18 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are six inequivalent Zr+3.82+ sites. In the first Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.93–3.08 Å. In the second Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.27 Å. In the third Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are four shorter (2.96 Å) and four longer (3.04 Å) Zr–Sb bond lengths. In the fourth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.83–3.42 Å. In the fifth Zr+3.82+ site, Zr+3.82+ is bonded in a 6-coordinate geometry to six Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.24 Å. In the sixth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.87–3.18 Å. There are five inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33-more »« less

Authors:: The Materials Project

Publication Date:: 2014-02-26

Other Number(s):: mp-542044

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; Zr11Sb18; Sb-Zr

OSTI Identifier:: 1266372

DOI:: https://doi.org/10.17188/1266372

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                    The Materials Project. Materials Data on Zr11Sb18 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1266372.

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                    The Materials Project. Materials Data on Zr11Sb18 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266372

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                    The Materials Project. 2014.  
"Materials Data on Zr11Sb18 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266372.  https://www.osti.gov/servlets/purl/1266372. Pub date:Wed Feb 26 00:00:00 EST 2014

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@article{osti_1266372,

  title        = {Materials Data on Zr11Sb18 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr11Sb18 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are six inequivalent Zr+3.82+ sites. In the first Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.93–3.08 Å. In the second Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.27 Å. In the third Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are four shorter (2.96 Å) and four longer (3.04 Å) Zr–Sb bond lengths. In the fourth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.83–3.42 Å. In the fifth Zr+3.82+ site, Zr+3.82+ is bonded in a 6-coordinate geometry to six Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.24 Å. In the sixth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.87–3.18 Å. There are five inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 4-coordinate geometry to four Zr+3.82+ atoms. In the second Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms. In the third Sb+2.33- site, Sb+2.33- is bonded in a 4-coordinate geometry to four Zr+3.82+ atoms. In the fourth Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms. In the fifth Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms.},

  doi          = {10.17188/1266372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {2}

}

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DOI: https://doi.org/10.17188/1266372

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