Materials Data on Os5C17O16 by Materials Project

doi:10.17188/1280737

Title: Materials Data on Os5C17O16 by Materials Project

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Abstract

Os5C17O16 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Os5C17O16 clusters. In two of the Os5C17O16 clusters, there are five inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to five C+2.47+ atoms to form corner-sharing OsC5 trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.93–2.26 Å. In the second Os2- site, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.11 Å. In the third Os2- site, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.47+ atoms. There is three shorter (1.92 Å) and one longer (2.01 Å) Os–C bond length. In the fourth Os2- site, Os2- is bonded to four C+2.47+ atoms to form distorted corner-sharing OsC4 trigonal pyramids. There are a spread of Os–C bond distances ranging from 1.91–2.02 Å. In the fifth Os2- site, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.11 Å. There are seventeen inequivalent C+2.47+ sites. In the first C+2.47+ site, C+2.47+ is bonded in a distorted linearmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-647725

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; Os5C17O16; C-O-Os

OSTI Identifier:: 1280737

DOI:: https://doi.org/10.17188/1280737

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                    The Materials Project. Materials Data on Os5C17O16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280737.

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                    The Materials Project. Materials Data on Os5C17O16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280737

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                    The Materials Project. 2020.  
"Materials Data on Os5C17O16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280737.  https://www.osti.gov/servlets/purl/1280737. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1280737,

  title        = {Materials Data on Os5C17O16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Os5C17O16 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Os5C17O16 clusters. In two of the Os5C17O16 clusters, there are five inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to five C+2.47+ atoms to form corner-sharing OsC5 trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.93–2.26 Å. In the second Os2- site, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.11 Å. In the third Os2- site, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.47+ atoms. There is three shorter (1.92 Å) and one longer (2.01 Å) Os–C bond length. In the fourth Os2- site, Os2- is bonded to four C+2.47+ atoms to form distorted corner-sharing OsC4 trigonal pyramids. There are a spread of Os–C bond distances ranging from 1.91–2.02 Å. In the fifth Os2- site, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.11 Å. There are seventeen inequivalent C+2.47+ sites. In the first C+2.47+ site, C+2.47+ 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 second C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+2.47+ site, C+2.47+ 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 fifth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the sixth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.15 Å. In the seventh C+2.47+ site, C+2.47+ 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 eighth C+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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 tenth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the eleventh C+2.47+ site, C+2.47+ 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 twelfth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the thirteenth C+2.47+ site, C+2.47+ 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 fourteenth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the sixteenth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the seventeenth C+2.47+ site, C+2.47+ is bonded in a trigonal bipyramidal geometry to five Os2- atoms. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In two of the Os5C17O16 clusters, there are five inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.11 Å. In the second Os2- site, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.91–2.00 Å. In the third Os2- site, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.90–2.12 Å. In the fourth Os2- site, Os2- is bonded in a trigonal bipyramidal geometry to five C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.93–2.26 Å. In the fifth Os2- site, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.47+ atoms. There are a spread of Os–C bond distances ranging from 1.91–2.01 Å. There are seventeen inequivalent C+2.47+ sites. In the first C+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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+2.47+ site, C+2.47+ 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 ninth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.15 Å. In the tenth C+2.47+ site, C+2.47+ 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 eleventh C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the twelfth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the thirteenth C+2.47+ site, C+2.47+ is bonded in a trigonal bipyramidal geometry to five Os2- atoms. In the fourteenth C+2.47+ site, C+2.47+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.15 Å. In the fifteenth C+2.47+ site, C+2.47+ 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 sixteenth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the seventeenth C+2.47+ site, C+2.47+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.47+ atom.},

  doi          = {10.17188/1280737},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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