Materials Data on B4W by Materials Project

doi:10.17188/1204136

Title: Materials Data on B4W by Materials Project

Dataset
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Abstract

WB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing WB12 cuboctahedra. All W–B bond lengths are 2.43 Å. In the second W6+ site, W6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.39 Å) and twelve longer (2.40 Å) W–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one W6+ and seven B+1.50- atoms. There is one shorter (1.70 Å) and six longer (1.94 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four W6+ and five B+1.50- atoms. There is one shorter (1.75 Å) and two longer (1.81 Å) B–B bond length.

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-29651

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; B4W; B-W

OSTI Identifier:: 1204136

DOI:: https://doi.org/10.17188/1204136

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                    The Materials Project. Materials Data on B4W by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204136.

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                    The Materials Project. Materials Data on B4W by Materials Project.  United States.  doi:https://doi.org/10.17188/1204136

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                    The Materials Project. 2017.  
"Materials Data on B4W by Materials Project".  United States.  doi:https://doi.org/10.17188/1204136.  https://www.osti.gov/servlets/purl/1204136. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1204136,

  title        = {Materials Data on B4W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing WB12 cuboctahedra. All W–B bond lengths are 2.43 Å. In the second W6+ site, W6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.39 Å) and twelve longer (2.40 Å) W–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one W6+ and seven B+1.50- atoms. There is one shorter (1.70 Å) and six longer (1.94 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four W6+ and five B+1.50- atoms. There is one shorter (1.75 Å) and two longer (1.81 Å) B–B bond length.},

  doi          = {10.17188/1204136},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1204136

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