Materials Data on Pr(FeB)4 by Materials Project

doi:10.17188/1705362

Title: Materials Data on Pr(FeB)4 by Materials Project

Dataset

Abstract

PrFe4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.81 Å) and four longer (2.84 Å) Pr–B bond lengths. Fe+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.42 Å. B3- is bonded in a 5-coordinate geometry to two equivalent Pr3+, five equivalent Fe+2.25+, and one B3- atom. The B–B bond length is 1.76 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1188734

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; Pr(FeB)4; B-Fe-Pr

OSTI Identifier:: 1705362

DOI:: https://doi.org/10.17188/1705362

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                    The Materials Project. Materials Data on Pr(FeB)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705362.

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                    The Materials Project. Materials Data on Pr(FeB)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705362

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                    The Materials Project. 2019.  
"Materials Data on Pr(FeB)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705362.  https://www.osti.gov/servlets/purl/1705362. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1705362,

  title        = {Materials Data on Pr(FeB)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrFe4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.81 Å) and four longer (2.84 Å) Pr–B bond lengths. Fe+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Fe–B bond distances ranging from 2.02–2.42 Å. B3- is bonded in a 5-coordinate geometry to two equivalent Pr3+, five equivalent Fe+2.25+, and one B3- atom. The B–B bond length is 1.76 Å.},

  doi          = {10.17188/1705362},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1705362

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