Materials Data on Ba2BiSbO6 by Materials Project

doi:10.17188/1683577

Title: Materials Data on Ba2BiSbO6 by Materials Project

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Abstract

Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1182508

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; Ba2BiSbO6; Ba-Bi-O-Sb

OSTI Identifier:: 1683577

DOI:: https://doi.org/10.17188/1683577

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                    The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1683577.

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                    The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683577

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                    The Materials Project. 2019.  
"Materials Data on Ba2BiSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683577.  https://www.osti.gov/servlets/purl/1683577. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1683577,

  title        = {Materials Data on Ba2BiSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.},

  doi          = {10.17188/1683577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1683577

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