Materials Data on Pr(BC)2 by Materials Project

doi:10.17188/1187399

Title: Materials Data on Pr(BC)2 by Materials Project

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Abstract

PrB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.81 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Pr4+ and three equivalent B atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-10853

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(BC)2; B-C-Pr

OSTI Identifier:: 1187399

DOI:: https://doi.org/10.17188/1187399

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                    The Materials Project. Materials Data on Pr(BC)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187399.

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                    The Materials Project. Materials Data on Pr(BC)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187399

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                    The Materials Project. 2020.  
"Materials Data on Pr(BC)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187399.  https://www.osti.gov/servlets/purl/1187399. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1187399,

  title        = {Materials Data on Pr(BC)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.81 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Pr4+ and three equivalent B atoms.},

  doi          = {10.17188/1187399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187399

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Materials Data on Pr(BC)2 by Materials Project

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PrB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.83 Å. B is bonded in a 2-coordinate geometry to one B and two equivalent C2- atoms. The B–B bond length is 1.66 Å. Both B–C bond lengths are 1.62 Å. C2- is bonded in a 2-coordinate geometry to four equivalent Pr4+, two equivalent B, and one C2- atom. The C–C bond length is 1.43 Å.
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