Materials Data on LiCuS by Materials Project

doi:10.17188/1289155

Title: Materials Data on LiCuS by Materials Project

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Abstract

LiCuS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to five equivalent S2- atoms to form distorted LiS5 square pyramids that share corners with four equivalent LiS5 square pyramids, corners with twelve equivalent CuS4 tetrahedra, edges with eight equivalent LiS5 square pyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.69 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent LiS5 square pyramids, corners with four equivalent CuS4 tetrahedra, edges with four equivalent LiS5 square pyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.38–2.47 Å. S2- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-753826

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; LiCuS; Cu-Li-S

OSTI Identifier:: 1289155

DOI:: https://doi.org/10.17188/1289155

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                    The Materials Project. Materials Data on LiCuS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289155.

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                    The Materials Project. Materials Data on LiCuS by Materials Project.  United States.  doi:https://doi.org/10.17188/1289155

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                    The Materials Project. 2020.  
"Materials Data on LiCuS by Materials Project".  United States.  doi:https://doi.org/10.17188/1289155.  https://www.osti.gov/servlets/purl/1289155. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1289155,

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

  author       = {The Materials Project},

  abstractNote = {LiCuS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to five equivalent S2- atoms to form distorted LiS5 square pyramids that share corners with four equivalent LiS5 square pyramids, corners with twelve equivalent CuS4 tetrahedra, edges with eight equivalent LiS5 square pyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.69 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent LiS5 square pyramids, corners with four equivalent CuS4 tetrahedra, edges with four equivalent LiS5 square pyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.38–2.47 Å. S2- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1289155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289155

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