Materials Data on BiAsO5 by Materials Project

doi:10.17188/1321338

Title: Materials Data on BiAsO5 by Materials Project

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Abstract

BiAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.30 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are a spread of As–O bond distances ranging from 1.65–1.84 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi5+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi5+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: Tue Sep 30 00:00:00 EDT 2014

Other Number(s):: mvc-5296

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; BiAsO5; As-Bi-O

OSTI Identifier:: 1321338

DOI:: https://doi.org/10.17188/1321338

Citation Formats


                    The Materials Project. Materials Data on BiAsO5 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1321338.

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                    The Materials Project. Materials Data on BiAsO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1321338

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                    The Materials Project. 2014.  
"Materials Data on BiAsO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1321338.  https://www.osti.gov/servlets/purl/1321338. Pub date:Tue Sep 30 00:00:00 EDT 2014

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@article{osti_1321338,

  title        = {Materials Data on BiAsO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.10–2.30 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–59°. There are a spread of As–O bond distances ranging from 1.65–1.84 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi5+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Bi5+ and one As5+ atom.},

  doi          = {10.17188/1321338},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Sep 30 00:00:00 EDT 2014},

  month        = {Tue Sep 30 00:00:00 EDT 2014}

}

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DOI: https://doi.org/10.17188/1321338

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