Materials Data on PrOs2 by Materials Project

doi:10.17188/1273816

Title: Materials Data on PrOs2 by Materials Project

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Abstract

PrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Pr–Os bond distances ranging from 3.17–3.26 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. All Os–Os bond lengths are 2.79 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.76 Å) Os–Os bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-567339

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; PrOs2; Os-Pr

OSTI Identifier:: 1273816

DOI:: https://doi.org/10.17188/1273816

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                    The Materials Project. Materials Data on PrOs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273816.

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                    The Materials Project. Materials Data on PrOs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273816

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                    The Materials Project. 2020.  
"Materials Data on PrOs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273816.  https://www.osti.gov/servlets/purl/1273816. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1273816,

  title        = {Materials Data on PrOs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Pr–Os bond distances ranging from 3.17–3.26 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. All Os–Os bond lengths are 2.79 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Pr3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsPr6Os6 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.76 Å) Os–Os bond lengths.},

  doi          = {10.17188/1273816},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273816

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