Materials Data on Na(Bi3O5)4 by Materials Project

doi:10.17188/1307180

Title: Materials Data on Na(Bi3O5)4 by Materials Project

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Abstract

Na(Bi3O5)4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with twelve BiO5 square pyramids. All Na–O bond lengths are 2.44 Å. There are three inequivalent Bi+3.25+ sites. In the first Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.48 Å. In the second Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.48 Å. In the third Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.47 Å. Theremore »« less

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-780705

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; Na(Bi3O5)4; Bi-Na-O

OSTI Identifier:: 1307180

DOI:: https://doi.org/10.17188/1307180

Citation Formats


                    The Materials Project. Materials Data on Na(Bi3O5)4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1307180.

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                    The Materials Project. Materials Data on Na(Bi3O5)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307180

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                    The Materials Project. 2017.  
"Materials Data on Na(Bi3O5)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307180.  https://www.osti.gov/servlets/purl/1307180. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1307180,

  title        = {Materials Data on Na(Bi3O5)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na(Bi3O5)4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with twelve BiO5 square pyramids. All Na–O bond lengths are 2.44 Å. There are three inequivalent Bi+3.25+ sites. In the first Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.48 Å. In the second Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.48 Å. In the third Bi+3.25+ site, Bi+3.25+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with eight BiO5 square pyramids, a cornercorner with one NaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.10–2.47 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.25+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.25+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.25+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.25+ atoms. In the fifth O2- site, O2- is bonded to one Na1+ and three Bi+3.25+ atoms to form distorted corner-sharing ONaBi3 tetrahedra.},

  doi          = {10.17188/1307180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1307180

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