Materials Data on H2CO3 by Materials Project

doi:10.17188/1271398

Title: Materials Data on H2CO3 by Materials Project

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Abstract

H2CO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two H2CO3 ribbons oriented in the (0, 0, 1) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one C4+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one C4+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1001080

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; H2CO3; C-H-O

OSTI Identifier:: 1271398

DOI:: https://doi.org/10.17188/1271398

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                    The Materials Project. Materials Data on H2CO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271398.

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                    The Materials Project. Materials Data on H2CO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271398

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                    The Materials Project. 2020.  
"Materials Data on H2CO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271398.  https://www.osti.gov/servlets/purl/1271398. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1271398,

  title        = {Materials Data on H2CO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H2CO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two H2CO3 ribbons oriented in the (0, 0, 1) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one C4+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one C4+ and one H1+ atom.},

  doi          = {10.17188/1271398},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271398

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