Materials Data on C4SeO2 by Materials Project

doi:10.17188/1271686

Title: Materials Data on C4SeO2 by Materials Project

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Abstract

C4SeO2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C4SeO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a 1-coordinate geometry to one C+1.50+ and one Se2- atom. The C–C bond length is 1.39 Å. The C–Se bond length is 1.88 Å. In the second C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.21 Å. Se2- is bonded in a 4-coordinate geometry to two equivalent C+1.50+ and four equivalent O2- atoms. There are two shorter (3.34 Å) and two longer (3.54 Å) Se–O bond lengths. O2- is bonded in a single-bond geometry to one C+1.50+ and two equivalent Se2- atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-560839

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; C4SeO2; C-O-Se

OSTI Identifier:: 1271686

DOI:: https://doi.org/10.17188/1271686

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                    The Materials Project. Materials Data on C4SeO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271686.

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                    The Materials Project. Materials Data on C4SeO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271686

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                    The Materials Project. 2020.  
"Materials Data on C4SeO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271686.  https://www.osti.gov/servlets/purl/1271686. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1271686,

  title        = {Materials Data on C4SeO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C4SeO2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C4SeO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a 1-coordinate geometry to one C+1.50+ and one Se2- atom. The C–C bond length is 1.39 Å. The C–Se bond length is 1.88 Å. In the second C+1.50+ site, C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.21 Å. Se2- is bonded in a 4-coordinate geometry to two equivalent C+1.50+ and four equivalent O2- atoms. There are two shorter (3.34 Å) and two longer (3.54 Å) Se–O bond lengths. O2- is bonded in a single-bond geometry to one C+1.50+ and two equivalent Se2- atoms.},

  doi          = {10.17188/1271686},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271686

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