Materials Data on BW by Materials Project

doi:10.17188/1325040

Title: Materials Data on BW by Materials Project

Dataset
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Abstract

BW1 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. W3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of W–B bond distances ranging from 2.34–2.51 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent W3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.87 Å.

Publication Date:: 2020-05-28

Other Number(s):: mp-1008487

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-W; BW; crystal structure

OSTI Identifier:: 1325040

DOI:: https://doi.org/10.17188/1325040

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                    Materials Data on BW by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325040.

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                    Materials Data on BW by Materials Project.  United States.  doi:https://doi.org/10.17188/1325040

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                    2020.  
"Materials Data on BW by Materials Project".  United States.  doi:https://doi.org/10.17188/1325040.  https://www.osti.gov/servlets/purl/1325040. Pub date:Thu May 28 00:00:00 EDT 2020

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@article{osti_1325040,

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

  
  abstractNote = {BW1 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. W3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of W–B bond distances ranging from 2.34–2.51 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent W3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.87 Å.},

  doi          = {10.17188/1325040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1325040

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Materials Data on BW by Materials Project

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BW1 is delta Molybdenum Boride structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. W3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of W–B bond distances ranging from 2.33–2.50 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent W3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.90 Å.
Materials Data on Co(BW)2 by Materials Project

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W2CoB2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are four shorter (2.34 Å) and two longer (2.52 Å) W–B bond lengths. Co2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.09 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Co2+, and one B3- atom. The B–B bond length is 1.88 Å.
Materials Data on Mn(BW)2 by Materials Project

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Mn(WB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. W2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are two shorter (2.34 Å) and four longer (2.35 Å) W–B bond lengths. Mn2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Mn–B bond lengths are 2.34 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Mn2+, and one B3- atom. The B–B bond length is 1.87 Å.
Materials Data on Co(BW)3 by Materials Project

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W3CoB3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent W+2.33+ sites. In the first W+2.33+ site, W+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.36–2.49 Å. In the second W+2.33+ site, W+2.33+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of W–B bond distances ranging from 2.32–2.52 Å. Co2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.07 Å. There are two inequivalent B3- sites.more »« less
Materials Data on Fe(BW)2 by Materials Project

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Fe(WB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. W2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are two shorter (2.32 Å) and four longer (2.35 Å) W–B bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Fe–B bond lengths are 2.28 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Fe2+, and one B3- atom. The B–B bond length is 1.86 Å.

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