Materials Data on HfBe5 by Materials Project

doi:10.17188/1195382

Title: Materials Data on HfBe5 by Materials Project

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Abstract

Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-2025

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; HfBe5; Be-Hf

OSTI Identifier:: 1195382

DOI:: https://doi.org/10.17188/1195382

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                    The Materials Project. Materials Data on HfBe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195382.

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                    The Materials Project. Materials Data on HfBe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195382

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                    The Materials Project. 2020.  
"Materials Data on HfBe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195382.  https://www.osti.gov/servlets/purl/1195382. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195382,

  title        = {Materials Data on HfBe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be atoms.},

  doi          = {10.17188/1195382},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195382

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