Materials Data on BaSb2 by Materials Project

doi:10.17188/1278272

Title: Materials Data on BaSb2 by Materials Project

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Abstract

BaSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ba–Sb bond distances ranging from 3.56–3.98 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six equivalent Ba2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.97 Å. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.94 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-624668

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; BaSb2; Ba-Sb

OSTI Identifier:: 1278272

DOI:: https://doi.org/10.17188/1278272

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                    The Materials Project. Materials Data on BaSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278272.

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                    The Materials Project. Materials Data on BaSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278272

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                    The Materials Project. 2020.  
"Materials Data on BaSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278272.  https://www.osti.gov/servlets/purl/1278272. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1278272,

  title        = {Materials Data on BaSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ba–Sb bond distances ranging from 3.56–3.98 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six equivalent Ba2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.97 Å. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.94 Å.},

  doi          = {10.17188/1278272},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278272

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