Materials Data on Bi2CO5 by Materials Project

doi:10.17188/1204616

Title: Materials Data on Bi2CO5 by Materials Project

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Abstract

Bi2O2CO3 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two Bi2O2CO3 sheets oriented in the (0, 0, 1) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are two shorter (2.32 Å) and six longer (2.54 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.48 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-30200

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; Bi2CO5; Bi-C-O

OSTI Identifier:: 1204616

DOI:: https://doi.org/10.17188/1204616

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                    The Materials Project. Materials Data on Bi2CO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204616.

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                    The Materials Project. Materials Data on Bi2CO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204616

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                    The Materials Project. 2020.  
"Materials Data on Bi2CO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204616.  https://www.osti.gov/servlets/purl/1204616. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204616,

  title        = {Materials Data on Bi2CO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2O2CO3 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two Bi2O2CO3 sheets oriented in the (0, 0, 1) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are two shorter (2.32 Å) and six longer (2.54 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.48 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.},

  doi          = {10.17188/1204616},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204616

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