Materials Data on LiVO3 by Materials Project

doi:10.17188/1753219

Title: Materials Data on LiVO3 by Materials Project

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Abstract

LiVO3 is Ilmenite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four VO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of Li–O bond distances ranging from 2.07–2.23 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with three equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of V–O bond distances ranging from 1.86–1.94 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with three equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of V–O bond distances ranging from 1.85–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1176521

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; LiVO3; Li-O-V

OSTI Identifier:: 1753219

DOI:: https://doi.org/10.17188/1753219

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                    The Materials Project. Materials Data on LiVO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753219.

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                    The Materials Project. Materials Data on LiVO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753219

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                    The Materials Project. 2020.  
"Materials Data on LiVO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753219.  https://www.osti.gov/servlets/purl/1753219. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753219,

  title        = {Materials Data on LiVO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiVO3 is Ilmenite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four VO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of Li–O bond distances ranging from 2.07–2.23 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with three equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of V–O bond distances ranging from 1.86–1.94 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent LiO6 octahedra, edges with three equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–24°. There are a spread of V–O bond distances ranging from 1.85–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two V5+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two V5+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two V5+ atoms.},

  doi          = {10.17188/1753219},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753219

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Materials Data on LiVO3 by Materials Project

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LiVO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.05 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to formmore »« less
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