Materials Data on LiGeTe2 by Materials Project

doi:10.17188/1202183

Title: Materials Data on LiGeTe2 by Materials Project

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Abstract

LiGeTe2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of distorted edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Li–Te bond distances ranging from 2.95–3.43 Å. In the second Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Li–Te bond distances ranging from 2.98–3.15 Å. In the third Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 6–13°. There are a spread of Li–Te bond distances ranging from 3.05–3.25 Å. In the fourth Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–Te bond distances ranging from 3.04–3.11 Å. There are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ ismore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-28060

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; LiGeTe2; Ge-Li-Te

OSTI Identifier:: 1202183

DOI:: https://doi.org/10.17188/1202183

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                    The Materials Project. Materials Data on LiGeTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202183.

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                    The Materials Project. Materials Data on LiGeTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202183

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                    The Materials Project. 2020.  
"Materials Data on LiGeTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202183.  https://www.osti.gov/servlets/purl/1202183. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1202183,

  title        = {Materials Data on LiGeTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiGeTe2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of distorted edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Li–Te bond distances ranging from 2.95–3.43 Å. In the second Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Li–Te bond distances ranging from 2.98–3.15 Å. In the third Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 6–13°. There are a spread of Li–Te bond distances ranging from 3.05–3.25 Å. In the fourth Li1+ site, Li1+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are a spread of Li–Te bond distances ranging from 3.04–3.11 Å. There are three inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.56–2.68 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.56 Å) and two longer (2.65 Å) Ge–Te bond lengths. In the third Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Ge–Te bond lengths. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two Li1+ and two Ge3+ atoms. In the third Te2- site, Te2- is bonded in a distorted see-saw-like geometry to two Li1+ and two Ge3+ atoms. In the fourth Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids. In the fifth Te2- site, Te2- is bonded in a distorted see-saw-like geometry to two Li1+ and two Ge3+ atoms. In the sixth Te2- site, Te2- is bonded to four Li1+ and one Ge3+ atom to form a mixture of distorted edge and corner-sharing TeLi4Ge square pyramids.},

  doi          = {10.17188/1202183},

  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/10.17188/1202183

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