Materials Data on PrSb2Pd by Materials Project

doi:10.17188/1664140

Title: Materials Data on PrSb2Pd by Materials Project

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Abstract

PrPdSb2 is beta Sn-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Pr–Sb bond distances ranging from 3.05–3.17 Å. Pd2+ is bonded to six Sb+2.50- atoms to form a mixture of distorted edge and corner-sharing PdSb6 pentagonal pyramids. There are four shorter (3.06 Å) and two longer (3.11 Å) Pd–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Pd2+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1179844

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; PrSb2Pd; Pd-Pr-Sb

OSTI Identifier:: 1664140

DOI:: https://doi.org/10.17188/1664140

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                    The Materials Project. Materials Data on PrSb2Pd by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1664140.

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                    The Materials Project. Materials Data on PrSb2Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1664140

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                    The Materials Project. 2019.  
"Materials Data on PrSb2Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1664140.  https://www.osti.gov/servlets/purl/1664140. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1664140,

  title        = {Materials Data on PrSb2Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrPdSb2 is beta Sn-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 6-coordinate geometry to six Sb+2.50- atoms. There are a spread of Pr–Sb bond distances ranging from 3.05–3.17 Å. Pd2+ is bonded to six Sb+2.50- atoms to form a mixture of distorted edge and corner-sharing PdSb6 pentagonal pyramids. There are four shorter (3.06 Å) and two longer (3.11 Å) Pd–Sb bond lengths. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 6-coordinate geometry to two equivalent Pr3+ and four equivalent Pd2+ atoms. In the second Sb+2.50- site, Sb+2.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pd2+ atoms.},

  doi          = {10.17188/1664140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1664140

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