Materials Data on Yb3(P3Pd10)2 by Materials Project

doi:10.17188/1675423

Title: Materials Data on Yb3(P3Pd10)2 by Materials Project

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Abstract

Yb3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to sixteen Pd atoms to form distorted YbPd16 tetrahedra that share edges with six equivalent YbPd16 tetrahedra and faces with four equivalent YbP6Pd12 cuboctahedra. There are four shorter (2.86 Å) and twelve longer (3.34 Å) Yb–Pd bond lengths. In the second Yb site, Yb is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing YbP6Pd12 cuboctahedra. All Yb–Pd bond lengths are 2.99 Å. All Yb–P bond lengths are 3.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Yb, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Yb, nine Pd, and two equivalent P atoms. There are one shorter (2.68 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to one Yb and eight Pdmore » atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1207642

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; Yb3(P3Pd10)2; P-Pd-Yb

OSTI Identifier:: 1675423

DOI:: https://doi.org/10.17188/1675423

Citation Formats


                    The Materials Project. Materials Data on Yb3(P3Pd10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675423.

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                    The Materials Project. Materials Data on Yb3(P3Pd10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675423

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                    The Materials Project. 2020.  
"Materials Data on Yb3(P3Pd10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675423.  https://www.osti.gov/servlets/purl/1675423. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1675423,

  title        = {Materials Data on Yb3(P3Pd10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to sixteen Pd atoms to form distorted YbPd16 tetrahedra that share edges with six equivalent YbPd16 tetrahedra and faces with four equivalent YbP6Pd12 cuboctahedra. There are four shorter (2.86 Å) and twelve longer (3.34 Å) Yb–Pd bond lengths. In the second Yb site, Yb is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing YbP6Pd12 cuboctahedra. All Yb–Pd bond lengths are 2.99 Å. All Yb–P bond lengths are 3.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Yb, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Yb, nine Pd, and two equivalent P atoms. There are one shorter (2.68 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to one Yb and eight Pd atoms.},

  doi          = {10.17188/1675423},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1675423

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