Materials Data on LiSbO3 by Materials Project

doi:10.17188/1290671

Title: Materials Data on LiSbO3 by Materials Project

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Abstract

LiSbO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four SbO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Li–O bond distances ranging from 2.11–2.34 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four SbO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Li–O bond distances ranging from 2.11–2.34 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four LiO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are four shorter (2.02 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb5+ site,more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-756951

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; LiSbO3; Li-O-Sb

OSTI Identifier:: 1290671

DOI:: https://doi.org/10.17188/1290671

Citation Formats


                    The Materials Project. Materials Data on LiSbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290671.

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                    The Materials Project. Materials Data on LiSbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290671

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                    The Materials Project. 2020.  
"Materials Data on LiSbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290671.  https://www.osti.gov/servlets/purl/1290671. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1290671,

  title        = {Materials Data on LiSbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSbO3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four SbO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Li–O bond distances ranging from 2.11–2.34 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four SbO6 octahedra, edges with three equivalent LiO6 octahedra, and edges with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are a spread of Li–O bond distances ranging from 2.11–2.34 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four LiO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are four shorter (2.02 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four LiO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with four LiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–23°. There are four shorter (2.02 Å) and two longer (2.03 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+ and two Sb5+ atoms. In the third O2- site, O2- is bonded to two Li1+ and two Sb5+ atoms to form a mixture of distorted corner and edge-sharing OLi2Sb2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Li1+ and two Sb5+ atoms to form a mixture of distorted corner and edge-sharing OLi2Sb2 trigonal pyramids. In the fifth O2- site, O2- is bonded to two Li1+ and two Sb5+ atoms to form a mixture of distorted corner and edge-sharing OLi2Sb2 trigonal pyramids. In the sixth O2- site, O2- is bonded to two Li1+ and two Sb5+ atoms to form a mixture of distorted corner and edge-sharing OLi2Sb2 trigonal pyramids.},

  doi          = {10.17188/1290671},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290671

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