Materials Data on Li(ErS2)3 by Materials Project

doi:10.17188/1695788

Title: Materials Data on Li(ErS2)3 by Materials Project

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Abstract

ErLi(ErS2)2(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two erbium molecules; four hydrogen sulfide molecules; and one Li(ErS2)2 sheet oriented in the (0, 0, 1) direction. In the Li(ErS2)2 sheet, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S+1.67- atoms. All Li–S bond lengths are 2.46 Å. Er3+ is bonded in a linear geometry to two equivalent S+1.67- atoms. Both Er–S bond lengths are 2.56 Å. S+1.67- is bonded in a distorted linear geometry to one Li1+, one Er3+, and one S+1.67- atom. The S–S bond length is 2.19 Å.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1206460

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; Li(ErS2)3; Er-Li-S

OSTI Identifier:: 1695788

DOI:: https://doi.org/10.17188/1695788

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                    The Materials Project. Materials Data on Li(ErS2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1695788.

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                    The Materials Project. Materials Data on Li(ErS2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695788

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                    The Materials Project. 2019.  
"Materials Data on Li(ErS2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695788.  https://www.osti.gov/servlets/purl/1695788. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1695788,

  title        = {Materials Data on Li(ErS2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErLi(ErS2)2(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two erbium molecules; four hydrogen sulfide molecules; and one Li(ErS2)2 sheet oriented in the (0, 0, 1) direction. In the Li(ErS2)2 sheet, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S+1.67- atoms. All Li–S bond lengths are 2.46 Å. Er3+ is bonded in a linear geometry to two equivalent S+1.67- atoms. Both Er–S bond lengths are 2.56 Å. S+1.67- is bonded in a distorted linear geometry to one Li1+, one Er3+, and one S+1.67- atom. The S–S bond length is 2.19 Å.},

  doi          = {10.17188/1695788},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1695788

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