Materials Data on CuBiSeO by Materials Project

doi:10.17188/1199245

Title: Materials Data on CuBiSeO by Materials Project

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Abstract

BiCuSeO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one CuSe sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-23116

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; CuBiSeO; Bi-Cu-O-Se

OSTI Identifier:: 1199245

DOI:: https://doi.org/10.17188/1199245

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                    The Materials Project. Materials Data on CuBiSeO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199245.

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                    The Materials Project. Materials Data on CuBiSeO by Materials Project.  United States.  doi:https://doi.org/10.17188/1199245

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                    The Materials Project. 2020.  
"Materials Data on CuBiSeO by Materials Project".  United States.  doi:https://doi.org/10.17188/1199245.  https://www.osti.gov/servlets/purl/1199245. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199245,

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

  author       = {The Materials Project},

  abstractNote = {BiCuSeO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiO sheet oriented in the (0, 0, 1) direction and one CuSe sheet oriented in the (0, 0, 1) direction. In the BiO sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.},

  doi          = {10.17188/1199245},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199245

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