Materials Data on Pr4(FeB2)3 by Materials Project

doi:10.17188/1727180

Title: Materials Data on Pr4(FeB2)3 by Materials Project

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Abstract

(Pr2FeB3)2Fe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three iron molecules and three Pr2FeB3 sheets oriented in the (0, 0, 1) direction. In each Pr2FeB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.75 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.73 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104305

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; Pr4(FeB2)3; B-Fe-Pr

OSTI Identifier:: 1727180

DOI:: https://doi.org/10.17188/1727180

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                    The Materials Project. Materials Data on Pr4(FeB2)3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1727180.

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                    The Materials Project. Materials Data on Pr4(FeB2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727180

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                    The Materials Project. 2018.  
"Materials Data on Pr4(FeB2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727180.  https://www.osti.gov/servlets/purl/1727180. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1727180,

  title        = {Materials Data on Pr4(FeB2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Pr2FeB3)2Fe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three iron molecules and three Pr2FeB3 sheets oriented in the (0, 0, 1) direction. In each Pr2FeB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.75 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.73 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å.},

  doi          = {10.17188/1727180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1727180

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