Materials Data on Ag(CO)2 by Materials Project

doi:10.17188/1277291

Title: Materials Data on Ag(CO)2 by Materials Project

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Abstract

AgO2C2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one AgO2C2 ribbon oriented in the (0, 1, 0) direction and one AgO2C2 sheet oriented in the (0, 0, 1) direction. In the AgO2C2 ribbon, there are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.53 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.49 Å. In the third Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.50 Å. In the fourth Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.53 Å. There are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ ismore »« less

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mp-600237

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; Ag(CO)2; Ag-C-O; crystal structure

OSTI Identifier:: 1277291

DOI:: https://doi.org/10.17188/1277291

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                    Materials Data on Ag(CO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277291.

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                    Materials Data on Ag(CO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277291

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                    2020.  
"Materials Data on Ag(CO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277291.  https://www.osti.gov/servlets/purl/1277291. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1277291,

  title        = {Materials Data on Ag(CO)2 by Materials Project},

  
  abstractNote = {AgO2C2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one AgO2C2 ribbon oriented in the (0, 1, 0) direction and one AgO2C2 sheet oriented in the (0, 0, 1) direction. In the AgO2C2 ribbon, there are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.53 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.49 Å. In the third Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.26–2.50 Å. In the fourth Ag2+ site, Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.28–2.53 Å. There are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the fifth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the sixth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the seventh C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. In the eighth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ag2+ and one C1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Ag2+ and one C1+ atom. In the AgO2C2 sheet, there are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.74 Å. In the second Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.73 Å. In the third Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.74 Å. In the fourth Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.77 Å. There are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the fifth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the sixth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the seventh C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the eighth C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Ag2+ and one C1+ atom.},

  doi          = {10.17188/1277291},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

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