Materials Data on Yb2P7Rh12 by Materials Project

doi:10.17188/1751469

Title: Materials Data on Yb2P7Rh12 by Materials Project

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Abstract

Yb2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent P atoms to form distorted YbP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent YbP6Rh6 cuboctahedra. There are three shorter (3.06 Å) and three longer (3.07 Å) Yb–Rh bond lengths. There are three shorter (3.02 Å) and three longer (3.03 Å) Yb–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.55 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent YbP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one YbP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.33–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1215912

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; Yb2P7Rh12; P-Rh-Yb

OSTI Identifier:: 1751469

DOI:: https://doi.org/10.17188/1751469

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                    The Materials Project. Materials Data on Yb2P7Rh12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751469.

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                    The Materials Project. Materials Data on Yb2P7Rh12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751469

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                    The Materials Project. 2020.  
"Materials Data on Yb2P7Rh12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751469.  https://www.osti.gov/servlets/purl/1751469. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1751469,

  title        = {Materials Data on Yb2P7Rh12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent P atoms to form distorted YbP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent YbP6Rh6 cuboctahedra. There are three shorter (3.06 Å) and three longer (3.07 Å) Yb–Rh bond lengths. There are three shorter (3.02 Å) and three longer (3.03 Å) Yb–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Yb and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.55 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent YbP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one YbP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.33–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Yb and seven Rh atoms.},

  doi          = {10.17188/1751469},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1751469

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