Materials Data on Ba2BiSbO6 by Materials Project

doi:10.17188/1280377

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 2.39–3.14 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.02 Å) Bi–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.43–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and two O2- atoms. There is one shorter (1.71 Å) and one longer (2.24 Å) O–O bond length. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Bi3+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Bi3+, one Sb5+, and two O2- atoms. The O–O bond length is 1.42 Å.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-643903

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:: 1280377

DOI:: https://doi.org/10.17188/1280377

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                    The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1280377.

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                    The Materials Project. Materials Data on Ba2BiSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280377

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                    The Materials Project. 2017.  
"Materials Data on Ba2BiSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280377.  https://www.osti.gov/servlets/purl/1280377. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1280377,

  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 2.39–3.14 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.02 Å) Bi–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.43–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and two O2- atoms. There is one shorter (1.71 Å) and one longer (2.24 Å) O–O bond length. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Bi3+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Bi3+, one Sb5+, and two O2- atoms. The O–O bond length is 1.42 Å.},

  doi          = {10.17188/1280377},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1280377

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