Materials Data on Li(CO)2 by Materials Project

doi:10.17188/1267261

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

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Abstract

Li(CO)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Li(CO)2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.02 Å) Li–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one C atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one C atom.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-546920

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-Li-O; Li(CO)2; crystal structure

OSTI Identifier:: 1267261

DOI:: https://doi.org/10.17188/1267261

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                    Materials Data on Li(CO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267261.

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                    Materials Data on Li(CO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267261

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                    2020.  
"Materials Data on Li(CO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267261.  https://www.osti.gov/servlets/purl/1267261. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1267261,

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

  
  abstractNote = {Li(CO)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Li(CO)2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.02 Å) Li–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one C atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one C atom.},

  doi          = {10.17188/1267261},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1267261

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