Materials Data on Cs2Mo(SO)2 by Materials Project

doi:10.17188/1672434

Title: Materials Data on Cs2Mo(SO)2 by Materials Project

Dataset
Other Related Research

Abstract

Cs2Mo(SO)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.19 Å. Mo6+ is bonded in a tetrahedral geometry to two equivalent S2- and two equivalent O2- atoms. Both Mo–S bond lengths are 2.24 Å. Both Mo–O bond lengths are 1.79 Å. S2- is bonded in a distorted single-bond geometry to one Mo6+ atom. O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Mo6+ atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1193654

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; Cs-Mo-O-S; Cs2Mo(SO)2; crystal structure

OSTI Identifier:: 1672434

DOI:: https://doi.org/10.17188/1672434

Citation Formats


                    Materials Data on Cs2Mo(SO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672434.

Copy to clipboard


                    Materials Data on Cs2Mo(SO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672434

Copy to clipboard


                    2020.  
"Materials Data on Cs2Mo(SO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672434.  https://www.osti.gov/servlets/purl/1672434. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1672434,

  title        = {Materials Data on Cs2Mo(SO)2 by Materials Project},

  
  abstractNote = {Cs2Mo(SO)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.19 Å. Mo6+ is bonded in a tetrahedral geometry to two equivalent S2- and two equivalent O2- atoms. Both Mo–S bond lengths are 2.24 Å. Both Mo–O bond lengths are 1.79 Å. S2- is bonded in a distorted single-bond geometry to one Mo6+ atom. O2- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Mo6+ atom.},

  doi          = {10.17188/1672434},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1672434

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Sr2Cu3(SO)2 by Materials Project

Dataset

Sr2Cu3(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.17 Å. All Sr–O bond lengths are 2.59 Å. There are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Cu–S bond lengths are 3.21 Å. All Cu–O bond lengths are 1.97 Å. In the second Cu+1.33+ site, Cu+1.33+ is bonded to four equivalent S2- atoms to form amore »« less
Materials Data on Sr2ZnCu2(SO)2 by Materials Project

Dataset

Sr2Cu2ZnO2S2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.20 Å. All Sr–O bond lengths are 2.60 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.43 Å. Zn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Zn–S bond lengths are 3.10 Å. All Zn–O bond lengths are 2.02 Å. S2- ismore »« less
Materials Data on Sr2MnCu2(SO)2 by Materials Project

Dataset

Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.45 Å. S2- ismore »« less
Materials Data on Sr2Cu2Ni(SO)2 by Materials Project

Dataset

Sr2NiCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.14 Å. All Sr–O bond lengths are 2.59 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 1.94 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.41 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and fourmore »« less
Materials Data on Na3P(SO)2 by Materials Project

Dataset

Na3PO2S2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to one S2- and three O2- atoms. The Na–S bond length is 2.86 Å. There are a spread of Na–O bond distances ranging from 2.27–2.37 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to five S2- and one O2- atom. There are a spread of Na–S bond distances ranging from 2.87–3.01 Å. The Na–O bond length is 2.34 Å. In the third Na1+ site, Na1+more »« less

Similar Records