Materials Data on Co(C2O3)2 by Materials Project

doi:10.17188/1758305

Title: Materials Data on Co(C2O3)2 by Materials Project

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Abstract

Co(CO3)2(C)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Co(CO3)2 sheets oriented in the (1, 0, 0) direction. In each Co(CO3)2 sheet, Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.75–1.97 Å. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Co2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1191659

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; Co(C2O3)2; C-Co-O

OSTI Identifier:: 1758305

DOI:: https://doi.org/10.17188/1758305

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                    The Materials Project. Materials Data on Co(C2O3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758305.

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                    The Materials Project. Materials Data on Co(C2O3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758305

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                    The Materials Project. 2020.  
"Materials Data on Co(C2O3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758305.  https://www.osti.gov/servlets/purl/1758305. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758305,

  title        = {Materials Data on Co(C2O3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co(CO3)2(C)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Co(CO3)2 sheets oriented in the (1, 0, 0) direction. In each Co(CO3)2 sheet, Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.75–1.97 Å. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Co2+ atom.},

  doi          = {10.17188/1758305},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758305

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