Materials Data on Pr(Al5Os)2 by Materials Project

doi:10.17188/1733134

Title: Materials Data on Pr(Al5Os)2 by Materials Project

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Abstract

Pr(OsAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Os and sixteen Al atoms. All Pr–Os bond lengths are 3.49 Å. There are a spread of Pr–Al bond distances ranging from 3.18–3.70 Å. Os is bonded in a 10-coordinate geometry to two equivalent Pr and ten Al atoms. There are a spread of Os–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Pr and two equivalent Os atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Pr and two equivalent Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Pr and two equivalent Os atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Pr and two equivalent Os atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1209309

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(Al5Os)2; Al-Os-Pr

OSTI Identifier:: 1733134

DOI:: https://doi.org/10.17188/1733134

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                    The Materials Project. Materials Data on Pr(Al5Os)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733134.

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                    The Materials Project. Materials Data on Pr(Al5Os)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733134

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                    The Materials Project. 2020.  
"Materials Data on Pr(Al5Os)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733134.  https://www.osti.gov/servlets/purl/1733134. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733134,

  title        = {Materials Data on Pr(Al5Os)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(OsAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Os and sixteen Al atoms. All Pr–Os bond lengths are 3.49 Å. There are a spread of Pr–Al bond distances ranging from 3.18–3.70 Å. Os is bonded in a 10-coordinate geometry to two equivalent Pr and ten Al atoms. There are a spread of Os–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Pr and two equivalent Os atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Pr and two equivalent Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Pr and two equivalent Os atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Pr and two equivalent Os atoms.},

  doi          = {10.17188/1733134},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733134

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