Materials Data on Sr2Cu(BiO3)2 by Materials Project

doi:10.17188/1269010

Title: Materials Data on Sr2Cu(BiO3)2 by Materials Project

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Abstract

Bi2Sr2CuO6 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Bi2Sr2CuO6 sheets oriented in the (0, 1, 0) direction. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.02 Å. Cu2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are four shorter (1.89 Å) and two longer (2.69 Å) Cu–O bond lengths. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Sr2+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sr2+, one Cu2+, and one Bi3+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-555827

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; Sr2Cu(BiO3)2; Bi-Cu-O-Sr

OSTI Identifier:: 1269010

DOI:: https://doi.org/10.17188/1269010

Citation Formats


                    The Materials Project. Materials Data on Sr2Cu(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269010.

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                    The Materials Project. Materials Data on Sr2Cu(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269010

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                    The Materials Project. 2020.  
"Materials Data on Sr2Cu(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269010.  https://www.osti.gov/servlets/purl/1269010. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1269010,

  title        = {Materials Data on Sr2Cu(BiO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Sr2CuO6 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Bi2Sr2CuO6 sheets oriented in the (0, 1, 0) direction. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–3.02 Å. Cu2+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are four shorter (1.89 Å) and two longer (2.69 Å) Cu–O bond lengths. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Sr2+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sr2+, one Cu2+, and one Bi3+ atom.},

  doi          = {10.17188/1269010},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269010

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