Materials Data on Hf6Al16Rh7 by Materials Project

doi:10.17188/1316511

Title: Materials Data on Hf6Al16Rh7 by Materials Project

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Abstract

Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Hf, four equivalent Rh, and eight Al atoms. All Hf–Hf bond lengths are 3.23 Å. All Hf–Rh bond lengths are 3.18 Å. There are four shorter (2.84 Å) and four longer (3.18 Å) Hf–Al bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Hf and eight Al atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent RhHf4Al8 cuboctahedra, corners with eight equivalent AlHf3Rh4 tetrahedra, edges with four equivalent AlHf3Rh4 tetrahedra, and faces with eight equivalent RhHf4Al8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.70 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rh–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Hf and four Rh atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent RhHf4Al8 cuboctahedra, corners with seven equivalent AlHf3Rh4 tetrahedra, edges with three equivalent RhHf4Al8 cuboctahedra, edges withmore »« less

Authors:: The Materials Project

Publication Date:: Tue Oct 22 00:00:00 EDT 2019

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1316511

Report Number(s):: mp-983480

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Hf6Al16Rh7; Al-Hf-Rh

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                    The Materials Project. Materials Data on Hf6Al16Rh7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1316511.

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                    The Materials Project. Materials Data on Hf6Al16Rh7 by Materials Project.  United States.  https://doi.org/10.17188/1316511

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                    The Materials Project. 2019.  
        "Materials Data on Hf6Al16Rh7 by Materials Project".  United States.  https://doi.org/10.17188/1316511.  https://www.osti.gov/servlets/purl/1316511.

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@article{osti_1316511,

  title        = {Materials Data on Hf6Al16Rh7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Hf, four equivalent Rh, and eight Al atoms. All Hf–Hf bond lengths are 3.23 Å. All Hf–Rh bond lengths are 3.18 Å. There are four shorter (2.84 Å) and four longer (3.18 Å) Hf–Al bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Hf and eight Al atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent RhHf4Al8 cuboctahedra, corners with eight equivalent AlHf3Rh4 tetrahedra, edges with four equivalent AlHf3Rh4 tetrahedra, and faces with eight equivalent RhHf4Al8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.70 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rh–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Hf and four Rh atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent RhHf4Al8 cuboctahedra, corners with seven equivalent AlHf3Rh4 tetrahedra, edges with three equivalent RhHf4Al8 cuboctahedra, edges with three equivalent AlHf3Rh4 tetrahedra, and faces with three equivalent AlHf3Rh4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Hf and three equivalent Rh atoms.},

  doi          = {10.17188/1316511},

  url          = {https://www.osti.gov/biblio/1316511},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Oct 22 00:00:00 EDT 2019},

  month        = {Tue Oct 22 00:00:00 EDT 2019}

}

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