Materials Data on Hf9BOs4 by Materials Project

doi:10.17188/1707281

Title: Materials Data on Hf9BOs4 by Materials Project

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Abstract

Hf9Os4B crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Os and one B atom. There are a spread of Hf–Os bond distances ranging from 2.93–2.99 Å. The Hf–B bond length is 2.54 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Os and one B atom. Both Hf–Os bond lengths are 2.76 Å. The Hf–B bond length is 3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to eight Hf and four Os atoms. There are two shorter (2.71 Å) and two longer (2.86 Å) Os–Os bond lengths. In the second Os site, Os is bonded to six equivalent Hf and six equivalent Os atoms to form face-sharing OsHf6Os6 cuboctahedra. B is bonded in a 6-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1193665

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; Hf9BOs4; B-Hf-Os

OSTI Identifier:: 1707281

DOI:: https://doi.org/10.17188/1707281

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                    The Materials Project. Materials Data on Hf9BOs4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707281.

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                    The Materials Project. Materials Data on Hf9BOs4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707281

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                    The Materials Project. 2020.  
"Materials Data on Hf9BOs4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707281.  https://www.osti.gov/servlets/purl/1707281. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1707281,

  title        = {Materials Data on Hf9BOs4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf9Os4B crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 1-coordinate geometry to four Os and one B atom. There are a spread of Hf–Os bond distances ranging from 2.93–2.99 Å. The Hf–B bond length is 2.54 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Os and one B atom. Both Hf–Os bond lengths are 2.76 Å. The Hf–B bond length is 3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to eight Hf and four Os atoms. There are two shorter (2.71 Å) and two longer (2.86 Å) Os–Os bond lengths. In the second Os site, Os is bonded to six equivalent Hf and six equivalent Os atoms to form face-sharing OsHf6Os6 cuboctahedra. B is bonded in a 6-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1707281},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707281

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