Materials Data on LuBiO3 by Materials Project

doi:10.17188/1728273

Title: Materials Data on LuBiO3 by Materials Project

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Abstract

LuBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent LuO6 octahedra, corners with three equivalent BiO6 pentagonal pyramids, edges with three equivalent BiO6 pentagonal pyramids, and a faceface with one BiO6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 37°. There are three shorter (2.18 Å) and three longer (2.28 Å) Lu–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with three equivalent LuO6 octahedra, corners with six equivalent BiO6 pentagonal pyramids, edges with three equivalent LuO6 octahedra, and a faceface with one LuO6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three shorter (2.34 Å) and three longer (2.50 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Lu3+ and two equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1176501

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; LuBiO3; Bi-Lu-O

OSTI Identifier:: 1728273

DOI:: https://doi.org/10.17188/1728273

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                    The Materials Project. Materials Data on LuBiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728273.

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                    The Materials Project. Materials Data on LuBiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728273

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                    The Materials Project. 2020.  
"Materials Data on LuBiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728273.  https://www.osti.gov/servlets/purl/1728273. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1728273,

  title        = {Materials Data on LuBiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent LuO6 octahedra, corners with three equivalent BiO6 pentagonal pyramids, edges with three equivalent BiO6 pentagonal pyramids, and a faceface with one BiO6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 37°. There are three shorter (2.18 Å) and three longer (2.28 Å) Lu–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with three equivalent LuO6 octahedra, corners with six equivalent BiO6 pentagonal pyramids, edges with three equivalent LuO6 octahedra, and a faceface with one LuO6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are three shorter (2.34 Å) and three longer (2.50 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Lu3+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1728273},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728273

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