Materials Data on Sb2C4O by Materials Project

doi:10.17188/1685567

Title: Materials Data on Sb2C4O by Materials Project

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Abstract

C4Sb2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four C4Sb2O clusters. there are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the third C2+ site, C2+ is bonded in a distorted linear geometry to one C2+ and one Sb3- atom. The C–C bond length is 1.24 Å. The C–Sb bond length is 2.09 Å. In the fourth C2+ site, C2+ is bonded in a linear geometry to one C2+ and one Sb3- atom. The C–Sb bond length is 2.16 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a water-like geometry to one C2+ and one O2- atom. The Sb–O bond length is 1.88 Å. In the second Sb3- site, Sb3- is bonded in a 3-coordinate geometry to three C2+ atoms. O2- is bonded in a single-bond geometry to one Sb3- atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1193068

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; Sb2C4O; C-O-Sb

OSTI Identifier:: 1685567

DOI:: https://doi.org/10.17188/1685567

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                    The Materials Project. Materials Data on Sb2C4O by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685567.

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                    The Materials Project. Materials Data on Sb2C4O by Materials Project.  United States.  doi:https://doi.org/10.17188/1685567

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                    The Materials Project. 2019.  
"Materials Data on Sb2C4O by Materials Project".  United States.  doi:https://doi.org/10.17188/1685567.  https://www.osti.gov/servlets/purl/1685567. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1685567,

  title        = {Materials Data on Sb2C4O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C4Sb2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four C4Sb2O clusters. there are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Sb3- atom. The C–Sb bond length is 2.23 Å. In the third C2+ site, C2+ is bonded in a distorted linear geometry to one C2+ and one Sb3- atom. The C–C bond length is 1.24 Å. The C–Sb bond length is 2.09 Å. In the fourth C2+ site, C2+ is bonded in a linear geometry to one C2+ and one Sb3- atom. The C–Sb bond length is 2.16 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a water-like geometry to one C2+ and one O2- atom. The Sb–O bond length is 1.88 Å. In the second Sb3- site, Sb3- is bonded in a 3-coordinate geometry to three C2+ atoms. O2- is bonded in a single-bond geometry to one Sb3- atom.},

  doi          = {10.17188/1685567},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685567

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