Materials Data on LiAsS2 by Materials Project

doi:10.17188/1269039

Title: Materials Data on LiAsS2 by Materials Project

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Abstract

LiAsS2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Li–S bond distances ranging from 2.66–2.90 Å. As3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.21 Å) and two longer (2.37 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Li1+ and one As3+ atom to form a mixture of corner and edge-sharing SLi4As square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent As3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-555874

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; LiAsS2; As-Li-S

OSTI Identifier:: 1269039

DOI:: https://doi.org/10.17188/1269039

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                    The Materials Project. Materials Data on LiAsS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269039.

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                    The Materials Project. Materials Data on LiAsS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269039

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                    The Materials Project. 2020.  
"Materials Data on LiAsS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269039.  https://www.osti.gov/servlets/purl/1269039. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269039,

  title        = {Materials Data on LiAsS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAsS2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 10–12°. There are a spread of Li–S bond distances ranging from 2.66–2.90 Å. As3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.21 Å) and two longer (2.37 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Li1+ and one As3+ atom to form a mixture of corner and edge-sharing SLi4As square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent As3+ atoms.},

  doi          = {10.17188/1269039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269039

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