Materials Data on W21S8 by Materials Project

doi:10.17188/1725137

Title: Materials Data on W21S8 by Materials Project

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Abstract

W21S8 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two W21S8 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent W sites. In the first W site, W is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) W–S bond lengths. In the second W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.46 Å) and one longer (2.53 Å) W–S bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) W–S bond lengths. In the fourth W site, W is bonded in a 1-coordinate geometry to one S atom. The W–S bond length is 2.62 Å. In the fifth W site, W is bonded in a 2-coordinate geometry to two equivalent S atoms. Both W–S bond lengths are 2.43 Å. In the sixth W site, W is bonded in a square co-planar geometry to four equivalent S atoms. All W–S bond lengths are 2.47 Å. There are two inequivalent S sites.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207867

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; W21S8; S-W

OSTI Identifier:: 1725137

DOI:: https://doi.org/10.17188/1725137

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                    The Materials Project. Materials Data on W21S8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1725137.

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                    The Materials Project. Materials Data on W21S8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725137

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                    The Materials Project. 2019.  
"Materials Data on W21S8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725137.  https://www.osti.gov/servlets/purl/1725137. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1725137,

  title        = {Materials Data on W21S8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W21S8 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two W21S8 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent W sites. In the first W site, W is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.54 Å) and two longer (2.57 Å) W–S bond lengths. In the second W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.46 Å) and one longer (2.53 Å) W–S bond lengths. In the third W site, W is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) W–S bond lengths. In the fourth W site, W is bonded in a 1-coordinate geometry to one S atom. The W–S bond length is 2.62 Å. In the fifth W site, W is bonded in a 2-coordinate geometry to two equivalent S atoms. Both W–S bond lengths are 2.43 Å. In the sixth W site, W is bonded in a square co-planar geometry to four equivalent S atoms. All W–S bond lengths are 2.47 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 7-coordinate geometry to seven W atoms. In the second S site, S is bonded in a 7-coordinate geometry to seven W atoms.},

  doi          = {10.17188/1725137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1725137

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