Materials Data on Li6TeO6 by Materials Project

doi:10.17188/1307850

Title: Materials Data on Li6TeO6 by Materials Project

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Abstract

Li6(TeO6) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to five equivalent O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one TeO6 octahedra, corners with eight equivalent LiO5 square pyramids, edges with two equivalent TeO6 octahedra, and edges with six equivalent LiO5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Li–O bond distances ranging from 1.98–2.41 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO5 square pyramids and edges with twelve equivalent LiO5 square pyramids. All Te–O bond lengths are 1.96 Å. O2- is bonded to five equivalent Li1+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedra tilt angles range from 0–19°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-7941

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; Li6TeO6; Li-O-Te

OSTI Identifier:: 1307850

DOI:: https://doi.org/10.17188/1307850

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                    The Materials Project. Materials Data on Li6TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307850.

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                    The Materials Project. Materials Data on Li6TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307850

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                    The Materials Project. 2020.  
"Materials Data on Li6TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307850.  https://www.osti.gov/servlets/purl/1307850. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1307850,

  title        = {Materials Data on Li6TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li6(TeO6) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to five equivalent O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one TeO6 octahedra, corners with eight equivalent LiO5 square pyramids, edges with two equivalent TeO6 octahedra, and edges with six equivalent LiO5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Li–O bond distances ranging from 1.98–2.41 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO5 square pyramids and edges with twelve equivalent LiO5 square pyramids. All Te–O bond lengths are 1.96 Å. O2- is bonded to five equivalent Li1+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedra tilt angles range from 0–19°.},

  doi          = {10.17188/1307850},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307850

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