Materials Data on LaBiO3 by Materials Project

doi:10.17188/1298357

Title: Materials Data on LaBiO3 by Materials Project

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Abstract

LaBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.39 Å) and three longer (2.52 Å) La–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.31 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded to two equivalent La3+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-768310

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; LaBiO3; Bi-La-O

OSTI Identifier:: 1298357

DOI:: https://doi.org/10.17188/1298357

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                    The Materials Project. Materials Data on LaBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298357.

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                    The Materials Project. Materials Data on LaBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298357

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                    The Materials Project. 2020.  
"Materials Data on LaBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298357.  https://www.osti.gov/servlets/purl/1298357. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1298357,

  title        = {Materials Data on LaBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.39 Å) and three longer (2.52 Å) La–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.31 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded to two equivalent La3+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 trigonal pyramids.},

  doi          = {10.17188/1298357},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298357

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