Materials Data on Hf9FeRe4 by Materials Project

doi:10.17188/1662682

Title: Materials Data on Hf9FeRe4 by Materials Project

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Abstract

Hf9Re4Fe 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 Re and one Fe atom. There are a spread of Hf–Re bond distances ranging from 2.92–3.05 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Re and one Fe atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–Fe bond length is 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.67 Å) and two longer (2.84 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1194204

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; Hf9FeRe4; Fe-Hf-Re

OSTI Identifier:: 1662682

DOI:: https://doi.org/10.17188/1662682

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                    The Materials Project. Materials Data on Hf9FeRe4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662682.

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                    The Materials Project. Materials Data on Hf9FeRe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662682

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                    The Materials Project. 2019.  
"Materials Data on Hf9FeRe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662682.  https://www.osti.gov/servlets/purl/1662682. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1662682,

  title        = {Materials Data on Hf9FeRe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf9Re4Fe 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 Re and one Fe atom. There are a spread of Hf–Re bond distances ranging from 2.92–3.05 Å. The Hf–Fe bond length is 2.56 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Re and one Fe atom. Both Hf–Re bond lengths are 2.88 Å. The Hf–Fe bond length is 3.06 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to eight Hf and four Re atoms. There are two shorter (2.67 Å) and two longer (2.84 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form face-sharing ReHf6Re6 cuboctahedra. Fe is bonded in a 6-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1662682},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1662682

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