Materials Data on Os3C10SO10 by Materials Project

doi:10.17188/1278067

Title: Materials Data on Os3C10SO10 by Materials Project

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Abstract

Os3C10SO10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Os3C10SO10 cluster. there are three inequivalent Os+0.67- sites. In the first Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are three shorter (1.92 Å) and one longer (2.21 Å) Os–C bond lengths. The Os–S bond length is 2.41 Å. In the second Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.22 Å. The Os–S bond length is 2.42 Å. In the third Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.21 Å. The Os–S bond length is 2.42 Å. There are ten inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom.more »« less

Publication Date:: 2020-07-15

Other Number(s):: mp-621927

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; C-O-Os-S; Os3C10SO10; crystal structure

OSTI Identifier:: 1278067

DOI:: https://doi.org/10.17188/1278067

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                    Materials Data on Os3C10SO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278067.

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                    Materials Data on Os3C10SO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278067

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                    2020.  
"Materials Data on Os3C10SO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278067.  https://www.osti.gov/servlets/purl/1278067. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1278067,

  title        = {Materials Data on Os3C10SO10 by Materials Project},

  
  abstractNote = {Os3C10SO10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Os3C10SO10 cluster. there are three inequivalent Os+0.67- sites. In the first Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are three shorter (1.92 Å) and one longer (2.21 Å) Os–C bond lengths. The Os–S bond length is 2.41 Å. In the second Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.22 Å. The Os–S bond length is 2.42 Å. In the third Os+0.67- site, Os+0.67- is bonded to four C+2.40+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.21 Å. The Os–S bond length is 2.42 Å. There are ten inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.40+ site, C+2.40+ is bonded in a distorted single-bond geometry to three Os+0.67- and one O2- atom. The C–O bond length is 1.21 Å. In the eighth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+0.67- and one O2- atom. The C–O bond length is 1.16 Å. S2- is bonded in a 5-coordinate geometry to three Os+0.67- and one O2- atom. The S–O bond length is 3.33 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ and one S2- atom.},

  doi          = {10.17188/1278067},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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