Materials Data on ErPt5 by Materials Project

doi:10.17188/1355314

Title: Materials Data on ErPt5 by Materials Project

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Abstract

ErPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.08 Å) and twelve longer (3.48 Å) Er–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Er3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtEr4Pt8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.72 Å) Pt–Pt bond lengths. In the second Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Er3+ and nine Pt+0.60- atoms. All Pt–Pt bond lengths are 3.08 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1025030

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; ErPt5; Er-Pt

OSTI Identifier:: 1355314

DOI:: https://doi.org/10.17188/1355314

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                    The Materials Project. Materials Data on ErPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355314.

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                    The Materials Project. Materials Data on ErPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355314

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                    The Materials Project. 2020.  
"Materials Data on ErPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355314.  https://www.osti.gov/servlets/purl/1355314. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1355314,

  title        = {Materials Data on ErPt5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.08 Å) and twelve longer (3.48 Å) Er–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Er3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtEr4Pt8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.72 Å) Pt–Pt bond lengths. In the second Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Er3+ and nine Pt+0.60- atoms. All Pt–Pt bond lengths are 3.08 Å.},

  doi          = {10.17188/1355314},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355314

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