Materials Data on Hf9B2Mo3 by Materials Project

doi:10.17188/1678523

Title: Materials Data on Hf9B2Mo3 by Materials Project

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Abstract

Hf9Mo3B2 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 three equivalent Mo and two B atoms. There are one shorter (2.90 Å) and two longer (3.02 Å) Hf–Mo bond lengths. There are one shorter (2.53 Å) and one longer (2.96 Å) Hf–B bond lengths. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Mo and one B atom. Both Hf–Mo bond lengths are 2.84 Å. The Hf–B bond length is 3.02 Å. Mo is bonded in a 12-coordinate geometry to eight Hf, two equivalent Mo, and two equivalent B atoms. Both Mo–Mo bond lengths are 2.72 Å. Both Mo–B bond lengths are 2.63 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing BHf6Mo6 cuboctahedra. In the second B site, B is bonded in a 6-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1224546

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; Hf9B2Mo3; B-Hf-Mo

OSTI Identifier:: 1678523

DOI:: https://doi.org/10.17188/1678523

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                    The Materials Project. Materials Data on Hf9B2Mo3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678523.

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                    The Materials Project. Materials Data on Hf9B2Mo3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678523

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                    The Materials Project. 2020.  
"Materials Data on Hf9B2Mo3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678523.  https://www.osti.gov/servlets/purl/1678523. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1678523,

  title        = {Materials Data on Hf9B2Mo3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf9Mo3B2 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 three equivalent Mo and two B atoms. There are one shorter (2.90 Å) and two longer (3.02 Å) Hf–Mo bond lengths. There are one shorter (2.53 Å) and one longer (2.96 Å) Hf–B bond lengths. In the second Hf site, Hf is bonded in a 3-coordinate geometry to two equivalent Mo and one B atom. Both Hf–Mo bond lengths are 2.84 Å. The Hf–B bond length is 3.02 Å. Mo is bonded in a 12-coordinate geometry to eight Hf, two equivalent Mo, and two equivalent B atoms. Both Mo–Mo bond lengths are 2.72 Å. Both Mo–B bond lengths are 2.63 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Hf and six equivalent Mo atoms to form face-sharing BHf6Mo6 cuboctahedra. In the second B site, B is bonded in a 6-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1678523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1678523

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