Materials Data on CaCO3 by Materials Project

doi:10.17188/1285039

Title: Materials Data on CaCO3 by Materials Project

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Abstract

CaCO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four formaldehyde molecules and one CaO2 framework. In the CaO2 framework, Ca2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Ca–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one O2- atom. The O–O bond length is 1.47 Å.

Publication Date:: Thu Jul 23 04:00:00 UTC 2020

Other Number(s):: mp-696740

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; C-Ca-O; CaCO3; crystal structure

OSTI Identifier:: 1285039

DOI:: https://doi.org/10.17188/1285039

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                    Materials Data on CaCO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285039.

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                    Materials Data on CaCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285039

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                    2020.  
"Materials Data on CaCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285039.  https://www.osti.gov/servlets/purl/1285039. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1285039,

  title        = {Materials Data on CaCO3 by Materials Project},

  
  abstractNote = {CaCO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four formaldehyde molecules and one CaO2 framework. In the CaO2 framework, Ca2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Ca–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one O2- atom. The O–O bond length is 1.47 Å.},

  doi          = {10.17188/1285039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 04:00:00 UTC 2020},

  month        = {Thu Jul 23 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1285039

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Materials Data on CaCO3 by Materials Project

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