Materials Data on LuS2 by Materials Project

doi:10.17188/1350433

Title: Materials Data on LuS2 by Materials Project

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Abstract

LuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.79 Å) and four longer (2.86 Å) Lu–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.68 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1018792

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; LuS2; Lu-S

OSTI Identifier:: 1350433

DOI:: https://doi.org/10.17188/1350433

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                    The Materials Project. Materials Data on LuS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350433.

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                    The Materials Project. Materials Data on LuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350433

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                    The Materials Project. 2020.  
"Materials Data on LuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350433.  https://www.osti.gov/servlets/purl/1350433. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1350433,

  title        = {Materials Data on LuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.79 Å) and four longer (2.86 Å) Lu–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.68 Å.},

  doi          = {10.17188/1350433},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350433

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