Materials Data on CoAg(CO)4 by Materials Project

doi:10.17188/1280787

Title: Materials Data on CoAg(CO)4 by Materials Project

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Abstract

CoAg(CO)4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CoAg(CO)4 clusters. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. In the second Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. All Co–C bond lengths are 1.78 Å. Ag1+ is bonded in a 2-coordinate geometry to two Co1+ and two equivalent Ag1+ atoms. There are one shorter (3.02 Å) and one longer (3.05 Å) Ag–Ag bond lengths. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted single-bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-647969

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; CoAg(CO)4; Ag-C-Co-O

OSTI Identifier:: 1280787

DOI:: https://doi.org/10.17188/1280787

Citation Formats


                    The Materials Project. Materials Data on CoAg(CO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280787.

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                    The Materials Project. Materials Data on CoAg(CO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280787

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                    The Materials Project. 2020.  
"Materials Data on CoAg(CO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280787.  https://www.osti.gov/servlets/purl/1280787. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1280787,

  title        = {Materials Data on CoAg(CO)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoAg(CO)4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CoAg(CO)4 clusters. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. In the second Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. All Co–C bond lengths are 1.78 Å. Ag1+ is bonded in a 2-coordinate geometry to two Co1+ and two equivalent Ag1+ atoms. There are one shorter (3.02 Å) and one longer (3.05 Å) Ag–Ag bond lengths. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted single-bond geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.},

  doi          = {10.17188/1280787},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1280787

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