Materials Data on PrCuSO by Materials Project

doi:10.17188/1277883

Title: Materials Data on PrCuSO by Materials Project

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Abstract

(PrO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one PrO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the PrO sheet, Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pr–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-6166

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; PrCuSO; Cu-O-Pr-S

OSTI Identifier:: 1277883

DOI:: https://doi.org/10.17188/1277883

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                    The Materials Project. Materials Data on PrCuSO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277883.

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                    The Materials Project. Materials Data on PrCuSO by Materials Project.  United States.  doi:https://doi.org/10.17188/1277883

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                    The Materials Project. 2020.  
"Materials Data on PrCuSO by Materials Project".  United States.  doi:https://doi.org/10.17188/1277883.  https://www.osti.gov/servlets/purl/1277883. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1277883,

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

  author       = {The Materials Project},

  abstractNote = {(PrO)CuS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuS sheet oriented in the (0, 0, 1) direction and one PrO sheet oriented in the (0, 0, 1) direction. In the CuS sheet, Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the PrO sheet, Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pr–O bond lengths are 2.35 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.},

  doi          = {10.17188/1277883},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277883

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