Materials Data on PrSmB12 by Materials Project

doi:10.17188/1711313

Title: Materials Data on PrSmB12 by Materials Project

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Abstract

SmPrB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. There are sixteen shorter (3.03 Å) and eight longer (3.04 Å) Sm–B bond lengths. Pr3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All Pr–B bond lengths are 3.04 Å. There are two inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Pr3+, and five B+0.50- atoms. There is one shorter (1.65 Å) and four longer (1.76 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Pr3+, and five B+0.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.76 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1219729

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; PrSmB12; B-Pr-Sm

OSTI Identifier:: 1711313

DOI:: https://doi.org/10.17188/1711313

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                    The Materials Project. Materials Data on PrSmB12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711313.

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                    The Materials Project. Materials Data on PrSmB12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711313

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                    The Materials Project. 2020.  
"Materials Data on PrSmB12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711313.  https://www.osti.gov/servlets/purl/1711313. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1711313,

  title        = {Materials Data on PrSmB12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmPrB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. There are sixteen shorter (3.03 Å) and eight longer (3.04 Å) Sm–B bond lengths. Pr3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All Pr–B bond lengths are 3.04 Å. There are two inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Pr3+, and five B+0.50- atoms. There is one shorter (1.65 Å) and four longer (1.76 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent Pr3+, and five B+0.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.76 Å.},

  doi          = {10.17188/1711313},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711313

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