Materials Data on HfZr by Materials Project

doi:10.17188/1316509

Title: Materials Data on HfZr by Materials Project

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Abstract

HfZr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hf is bonded to six equivalent Hf and six equivalent Zr atoms to form HfHf6Zr6 cuboctahedra that share corners with eighteen equivalent HfHf6Zr6 cuboctahedra, edges with six equivalent HfHf6Zr6 cuboctahedra, edges with twelve equivalent ZrHf6Zr6 cuboctahedra, faces with eight equivalent HfHf6Zr6 cuboctahedra, and faces with twelve equivalent ZrHf6Zr6 cuboctahedra. All Hf–Hf bond lengths are 3.22 Å. All Hf–Zr bond lengths are 3.17 Å. Zr is bonded to six equivalent Hf and six equivalent Zr atoms to form ZrHf6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHf6Zr6 cuboctahedra, edges with six equivalent ZrHf6Zr6 cuboctahedra, edges with twelve equivalent HfHf6Zr6 cuboctahedra, faces with eight equivalent ZrHf6Zr6 cuboctahedra, and faces with twelve equivalent HfHf6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.22 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-983459

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; HfZr; Hf-Zr

OSTI Identifier:: 1316509

DOI:: https://doi.org/10.17188/1316509

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                    The Materials Project. Materials Data on HfZr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316509.

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                    The Materials Project. Materials Data on HfZr by Materials Project.  United States.  doi:https://doi.org/10.17188/1316509

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                    The Materials Project. 2020.  
"Materials Data on HfZr by Materials Project".  United States.  doi:https://doi.org/10.17188/1316509.  https://www.osti.gov/servlets/purl/1316509. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316509,

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

  author       = {The Materials Project},

  abstractNote = {HfZr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hf is bonded to six equivalent Hf and six equivalent Zr atoms to form HfHf6Zr6 cuboctahedra that share corners with eighteen equivalent HfHf6Zr6 cuboctahedra, edges with six equivalent HfHf6Zr6 cuboctahedra, edges with twelve equivalent ZrHf6Zr6 cuboctahedra, faces with eight equivalent HfHf6Zr6 cuboctahedra, and faces with twelve equivalent ZrHf6Zr6 cuboctahedra. All Hf–Hf bond lengths are 3.22 Å. All Hf–Zr bond lengths are 3.17 Å. Zr is bonded to six equivalent Hf and six equivalent Zr atoms to form ZrHf6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHf6Zr6 cuboctahedra, edges with six equivalent ZrHf6Zr6 cuboctahedra, edges with twelve equivalent HfHf6Zr6 cuboctahedra, faces with eight equivalent ZrHf6Zr6 cuboctahedra, and faces with twelve equivalent HfHf6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.22 Å.},

  doi          = {10.17188/1316509},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316509

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