Materials Data on Dy3(P3Pd10)2 by Materials Project

doi:10.17188/1662327

Title: Materials Data on Dy3(P3Pd10)2 by Materials Project

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Abstract

Dy3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to sixteen Pd atoms to form distorted DyPd16 tetrahedra that share edges with six equivalent DyPd16 tetrahedra and faces with four equivalent DyP6Pd12 cuboctahedra. There are four shorter (2.85 Å) and twelve longer (3.35 Å) Dy–Pd bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing DyP6Pd12 cuboctahedra. All Dy–Pd bond lengths are 3.00 Å. All Dy–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Dy, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.05 Å. All Pd–P bond lengths are 2.50 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Dy, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (3.00 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Dy and eight Pdmore » atoms.« less

Publication Date:: 2020-04-29

Other Number(s):: mp-1213204

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Dy-P-Pd; Dy3(P3Pd10)2

OSTI Identifier:: 1662327

DOI:: https://doi.org/10.17188/1662327

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                    Materials Data on Dy3(P3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662327.

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                    Materials Data on Dy3(P3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662327

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                    2020.  
"Materials Data on Dy3(P3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662327.  https://www.osti.gov/servlets/purl/1662327. Pub date:Wed Apr 29 20:00:00 EDT 2020

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@article{osti_1662327,

  title        = {Materials Data on Dy3(P3Pd10)2 by Materials Project},

  
  abstractNote = {Dy3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to sixteen Pd atoms to form distorted DyPd16 tetrahedra that share edges with six equivalent DyPd16 tetrahedra and faces with four equivalent DyP6Pd12 cuboctahedra. There are four shorter (2.85 Å) and twelve longer (3.35 Å) Dy–Pd bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing DyP6Pd12 cuboctahedra. All Dy–Pd bond lengths are 3.00 Å. All Dy–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Dy, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.05 Å. All Pd–P bond lengths are 2.50 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Dy, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (3.00 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Dy and eight Pd atoms.},

  doi          = {10.17188/1662327},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1662327

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