Materials Data on LiCuS by Materials Project

doi:10.17188/1289005

Title: Materials Data on LiCuS by Materials Project

Dataset
Other Related Research

Abstract

LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.

Publication Date:: 2020-05-05

Other Number(s):: mp-753371

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-Li-S; LiCuS; crystal structure

OSTI Identifier:: 1289005

DOI:: https://doi.org/10.17188/1289005

Citation Formats


                    Materials Data on LiCuS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289005.

Copy to clipboard


                    Materials Data on LiCuS by Materials Project.  United States.  doi:https://doi.org/10.17188/1289005

Copy to clipboard


                    2020.  
"Materials Data on LiCuS by Materials Project".  United States.  doi:https://doi.org/10.17188/1289005.  https://www.osti.gov/servlets/purl/1289005. Pub date:Tue May 05 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1289005,

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

  
  abstractNote = {LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.},

  doi          = {10.17188/1289005},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1289005

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on LiCuS by Materials Project

Dataset

LiCuS crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.46–2.73 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.47–2.71 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2-more »« less
Materials Data on LiCuS by Materials Project

Dataset

LiCuS crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.47–2.69 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SLi4Cu2 pentagonal pyramids.
Materials Data on LiCuS by Materials Project

Dataset

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 withmore »« less
Materials Data on LiCuS by Materials Project

Dataset

LiCuS crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–3.04 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.50–2.87 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Li–S bond distances ranging frommore »« less
Materials Data on LiCuS by Materials Project

Dataset

LiCuS crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of distorted corner and edge-sharing LiS4 trigonal pyramids. There are a spread of Li–S bond distances ranging from 2.48–2.96 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.91 Å. In the third Li1+ site, Li1+ is bonded in a distortedmore »« less

Similar Records