Materials Data on LiCuSbO4 by Materials Project

doi:10.17188/1303058

Title: Materials Data on LiCuSbO4 by Materials Project

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Abstract

LiCuSbO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent CuO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Li–O bond distances ranging from 2.01–2.29 Å. Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are two shorter (1.93 Å) and two longer (2.07 Å) Cu–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CuO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Cu2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Cu2+,more » and two equivalent Sb5+ atoms.« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-775311

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; LiCuSbO4; Cu-Li-O-Sb

OSTI Identifier:: 1303058

DOI:: https://doi.org/10.17188/1303058

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                    The Materials Project. Materials Data on LiCuSbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1303058.

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                    The Materials Project. Materials Data on LiCuSbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1303058

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                    The Materials Project. 2020.  
"Materials Data on LiCuSbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1303058.  https://www.osti.gov/servlets/purl/1303058. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1303058,

  title        = {Materials Data on LiCuSbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiCuSbO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent CuO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Li–O bond distances ranging from 2.01–2.29 Å. Cu2+ is bonded to four O2- atoms to form CuO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–62°. There are two shorter (1.93 Å) and two longer (2.07 Å) Cu–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CuO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Cu2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one Cu2+, and two equivalent Sb5+ atoms.},

  doi          = {10.17188/1303058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1303058

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