Materials Data on WS9Cl4 by Materials Project

doi:10.17188/1203127

Title: Materials Data on WS9Cl4 by Materials Project

Dataset
Other Related Research

Abstract

WS9Cl4 crystallizes in the tetragonal P-42_1c space group. The structure is one-dimensional and consists of four WS9Cl4 ribbons oriented in the (0, 0, 1) direction. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S+0.22- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are one shorter (2.30 Å) and three longer (2.31 Å) W–Cl bond lengths. There are nine inequivalent S+0.22- sites. In the first S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the third S+0.22- site, S+0.22- is bonded in a distorted single-bond geometry to one W6+ atom. In the fourth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.06 Å. In the fifth S+0.22- site, S+0.22- is bonded in a 3-coordinate geometry to two S+0.22- and one Cl1- atom. The S–S bond length is 2.07 Å. The S–Cl bond length ismore »« less

Publication Date:: 2020-04-29

Other Number(s):: mp-29051

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; Cl-S-W; WS9Cl4; crystal structure

OSTI Identifier:: 1203127

DOI:: https://doi.org/10.17188/1203127

Citation Formats


                    Materials Data on WS9Cl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203127.

Copy to clipboard


                    Materials Data on WS9Cl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203127

Copy to clipboard


                    2020.  
"Materials Data on WS9Cl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203127.  https://www.osti.gov/servlets/purl/1203127. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1203127,

  title        = {Materials Data on WS9Cl4 by Materials Project},

  
  abstractNote = {WS9Cl4 crystallizes in the tetragonal P-42_1c space group. The structure is one-dimensional and consists of four WS9Cl4 ribbons oriented in the (0, 0, 1) direction. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S+0.22- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are one shorter (2.30 Å) and three longer (2.31 Å) W–Cl bond lengths. There are nine inequivalent S+0.22- sites. In the first S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the third S+0.22- site, S+0.22- is bonded in a distorted single-bond geometry to one W6+ atom. In the fourth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.06 Å. In the fifth S+0.22- site, S+0.22- is bonded in a 3-coordinate geometry to two S+0.22- and one Cl1- atom. The S–S bond length is 2.07 Å. The S–Cl bond length is 3.64 Å. In the sixth S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. The S–S bond length is 2.07 Å. In the seventh S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.06 Å. In the eighth S+0.22- site, S+0.22- is bonded in a 2-coordinate geometry to two S+0.22- and two Cl1- atoms. There are one shorter (3.75 Å) and one longer (4.00 Å) S–Cl bond lengths. In the ninth S+0.22- site, S+0.22- is bonded in a distorted water-like geometry to two S+0.22- atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ and one S+0.22- atom.},

  doi          = {10.17188/1203127},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1203127

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.
Materials Data on Be by Materials Project

Dataset

Be is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Be–Be bond lengths are 2.17 Å.
Materials Data on NO by Materials Project

Dataset

NO is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.17 Å. O is bonded in a single-bond geometry to one N atom.

Similar Records