Materials Data on Mn2Hg(CO)10 by Materials Project

doi:10.17188/1280804

Title: Materials Data on Mn2Hg(CO)10 by Materials Project

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Abstract

Mn2Hg(CO)10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mn2Hg(CO)10 cluster. Mn2+ is bonded to one Hg2+ and five C+1.40+ atoms to form distorted corner-sharing MnHgC5 square pyramids. The Mn–Hg bond length is 2.65 Å. There is one shorter (1.82 Å) and four longer (1.86 Å) Mn–C bond length. Hg2+ is bonded in a linear geometry to two equivalent Mn2+ atoms. There are five inequivalent C+1.40+ sites. In the first C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bondmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-648164

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; Mn2Hg(CO)10; C-Hg-Mn-O

OSTI Identifier:: 1280804

DOI:: https://doi.org/10.17188/1280804

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                    The Materials Project. Materials Data on Mn2Hg(CO)10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280804.

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                    The Materials Project. Materials Data on Mn2Hg(CO)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280804

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                    The Materials Project. 2020.  
"Materials Data on Mn2Hg(CO)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280804.  https://www.osti.gov/servlets/purl/1280804. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1280804,

  title        = {Materials Data on Mn2Hg(CO)10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2Hg(CO)10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mn2Hg(CO)10 cluster. Mn2+ is bonded to one Hg2+ and five C+1.40+ atoms to form distorted corner-sharing MnHgC5 square pyramids. The Mn–Hg bond length is 2.65 Å. There is one shorter (1.82 Å) and four longer (1.86 Å) Mn–C bond length. Hg2+ is bonded in a linear geometry to two equivalent Mn2+ atoms. There are five inequivalent C+1.40+ sites. In the first C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.40+ site, C+1.40+ is bonded in a linear geometry to one Mn2+ 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+1.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.40+ atom.},

  doi          = {10.17188/1280804},

  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/10.17188/1280804

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