Materials Data on Os3C9S2O9 by Materials Project

doi:10.17188/1277630

Title: Materials Data on Os3C9S2O9 by Materials Project

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Abstract

Os3C9S2O9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os3C9S2O9 clusters. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 square pyramids. There are a spread of Os–C bond distances ranging from 1.89–1.93 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Os–S bond lengths. In the second Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 square pyramids. There are a spread of Os–C bond distances ranging from 1.89–1.93 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Os–S bond lengths. In the third Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 trigonal bipyramids. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.44 Å) and one longer (2.47 Å) Os–S bond lengths. There are nine inequivalent C+3.11+ sites. In the first C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length ismore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-608431

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; Os3C9S2O9; C-O-Os-S

OSTI Identifier:: 1277630

DOI:: https://doi.org/10.17188/1277630

Citation Formats


                    The Materials Project. Materials Data on Os3C9S2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277630.

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                    The Materials Project. Materials Data on Os3C9S2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277630

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                    The Materials Project. 2020.  
"Materials Data on Os3C9S2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277630.  https://www.osti.gov/servlets/purl/1277630. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1277630,

  title        = {Materials Data on Os3C9S2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Os3C9S2O9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os3C9S2O9 clusters. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 square pyramids. There are a spread of Os–C bond distances ranging from 1.89–1.93 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Os–S bond lengths. In the second Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 square pyramids. There are a spread of Os–C bond distances ranging from 1.89–1.93 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Os–S bond lengths. In the third Os2- site, Os2- is bonded to three C+3.11+ and two S2- atoms to form distorted edge-sharing OsC3S2 trigonal bipyramids. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.44 Å) and one longer (2.47 Å) Os–S bond lengths. There are nine inequivalent C+3.11+ sites. In the first C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+3.11+ site, C+3.11+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Os2- atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Os2- atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom.},

  doi          = {10.17188/1277630},

  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/10.17188/1277630

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