Materials Data on LaBiO4 by Materials Project

doi:10.17188/1299790

Title: Materials Data on LaBiO4 by Materials Project

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Abstract

LaBiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. Bi5+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.04–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-770464

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; LaBiO4; Bi-La-O

OSTI Identifier:: 1299790

DOI:: https://doi.org/10.17188/1299790

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                    The Materials Project. Materials Data on LaBiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299790.

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                    The Materials Project. Materials Data on LaBiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299790

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                    The Materials Project. 2020.  
"Materials Data on LaBiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299790.  https://www.osti.gov/servlets/purl/1299790. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1299790,

  title        = {Materials Data on LaBiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaBiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. Bi5+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.04–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Bi5+ atom.},

  doi          = {10.17188/1299790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1299790

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