Materials Data on BaCdSb2 by Materials Project

doi:10.17188/1204469

Title: Materials Data on BaCdSb2 by Materials Project

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Abstract

BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-30040

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; BaCdSb2; Ba-Cd-Sb

OSTI Identifier:: 1204469

DOI:: https://doi.org/10.17188/1204469

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                    The Materials Project. Materials Data on BaCdSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204469.

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                    The Materials Project. Materials Data on BaCdSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204469

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                    The Materials Project. 2020.  
"Materials Data on BaCdSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204469.  https://www.osti.gov/servlets/purl/1204469. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204469,

  title        = {Materials Data on BaCdSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaCdSb2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.61 Å) and four longer (3.62 Å) Ba–Sb bond lengths. Cd2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CdSb4 tetrahedra. All Cd–Sb bond lengths are 2.97 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. In the second Sb2- site, Sb2- is bonded in a distorted body-centered cubic geometry to four equivalent Ba2+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.26 Å.},

  doi          = {10.17188/1204469},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204469

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