Materials Data on LiBiTe2 by Materials Project

doi:10.17188/1672765

Title: Materials Data on LiBiTe2 by Materials Project

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Abstract

LiBiTe2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six Te2- atoms to form LiTe6 octahedra that share corners with six equivalent LiTe6 octahedra, edges with four equivalent LiTe6 octahedra, and edges with eight equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.14 Å) Li–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with four equivalent BiTe6 octahedra, and edges with eight equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.14 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Li1+ and four equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeLi2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Li1+ and two equivalent Bi3+ atoms to form TeLi4Bi2 octahedra that share corners with six equivalent TeLi4Bi2 octahedra and edges with twelve TeLi2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1222394

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; LiBiTe2; Bi-Li-Te

OSTI Identifier:: 1672765

DOI:: https://doi.org/10.17188/1672765

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                    The Materials Project. Materials Data on LiBiTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672765.

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                    The Materials Project. Materials Data on LiBiTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672765

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                    The Materials Project. 2020.  
"Materials Data on LiBiTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672765.  https://www.osti.gov/servlets/purl/1672765. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1672765,

  title        = {Materials Data on LiBiTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBiTe2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six Te2- atoms to form LiTe6 octahedra that share corners with six equivalent LiTe6 octahedra, edges with four equivalent LiTe6 octahedra, and edges with eight equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.14 Å) Li–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with four equivalent BiTe6 octahedra, and edges with eight equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.10 Å) and four longer (3.14 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Li1+ and four equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeLi2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Li1+ and two equivalent Bi3+ atoms to form TeLi4Bi2 octahedra that share corners with six equivalent TeLi4Bi2 octahedra and edges with twelve TeLi2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1672765},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672765

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