Materials Data on Pr2FeAs2RuO2 by Materials Project

doi:10.17188/1678084

Title: Materials Data on Pr2FeAs2RuO2 by Materials Project

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Abstract

Pr2RuFeAs2O2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Pr–As bond lengths are 3.36 Å. All Pr–O bond lengths are 2.36 Å. Ru2+ is bonded to four equivalent As3- atoms to form RuAs4 tetrahedra that share corners with four equivalent RuAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Ru–As bond lengths are 2.53 Å. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent RuAs4 tetrahedra. All Fe–As bond lengths are 2.53 Å. As3- is bonded in a 2-coordinate geometry to four equivalent Pr3+, two equivalent Ru2+, and two equivalent Fe2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219984

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; Pr2FeAs2RuO2; As-Fe-O-Pr-Ru

OSTI Identifier:: 1678084

DOI:: https://doi.org/10.17188/1678084

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                    The Materials Project. Materials Data on Pr2FeAs2RuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678084.

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                    The Materials Project. Materials Data on Pr2FeAs2RuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678084

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                    The Materials Project. 2020.  
"Materials Data on Pr2FeAs2RuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678084.  https://www.osti.gov/servlets/purl/1678084. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1678084,

  title        = {Materials Data on Pr2FeAs2RuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2RuFeAs2O2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Pr–As bond lengths are 3.36 Å. All Pr–O bond lengths are 2.36 Å. Ru2+ is bonded to four equivalent As3- atoms to form RuAs4 tetrahedra that share corners with four equivalent RuAs4 tetrahedra and edges with four equivalent FeAs4 tetrahedra. All Ru–As bond lengths are 2.53 Å. Fe2+ is bonded to four equivalent As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and edges with four equivalent RuAs4 tetrahedra. All Fe–As bond lengths are 2.53 Å. As3- is bonded in a 2-coordinate geometry to four equivalent Pr3+, two equivalent Ru2+, and two equivalent Fe2+ atoms. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra.},

  doi          = {10.17188/1678084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678084

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