Materials Data on Dy5Pt4 by Materials Project

doi:10.17188/1682711

Title: Materials Data on Dy5Pt4 by Materials Project

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Abstract

Dy5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six Pt atoms to form a mixture of distorted edge, face, and corner-sharing DyPt6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Dy–Pt bond distances ranging from 2.90–3.04 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.94–3.63 Å. In the third Dy site, Dy is bonded to six Pt atoms to form a mixture of face and corner-sharing DyPt6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Dy–Pt bond distances ranging from 2.83–3.10 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom. The Pt–Pt bond length is 2.80 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to eight Dy atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1202228

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; Dy5Pt4; Dy-Pt

OSTI Identifier:: 1682711

DOI:: https://doi.org/10.17188/1682711

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                    The Materials Project. Materials Data on Dy5Pt4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682711.

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                    The Materials Project. Materials Data on Dy5Pt4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682711

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                    The Materials Project. 2020.  
"Materials Data on Dy5Pt4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682711.  https://www.osti.gov/servlets/purl/1682711. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1682711,

  title        = {Materials Data on Dy5Pt4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to six Pt atoms to form a mixture of distorted edge, face, and corner-sharing DyPt6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Dy–Pt bond distances ranging from 2.90–3.04 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.94–3.63 Å. In the third Dy site, Dy is bonded to six Pt atoms to form a mixture of face and corner-sharing DyPt6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Dy–Pt bond distances ranging from 2.83–3.10 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom. The Pt–Pt bond length is 2.80 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to eight Dy atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Dy and one Pt atom.},

  doi          = {10.17188/1682711},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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