Materials Data on Ni(BW)2 by Materials Project

doi:10.17188/1651966

Title: Materials Data on Ni(BW)2 by Materials Project

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Abstract

Ni(WB)2 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 (2.33 Å) and two longer (2.54 Å) W–B bond lengths. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Ni2+, and one B3- atom. The B–B bond length is 1.86 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1070761

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; Ni(BW)2; B-Ni-W

OSTI Identifier:: 1651966

DOI:: https://doi.org/10.17188/1651966

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                    The Materials Project. Materials Data on Ni(BW)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651966.

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                    The Materials Project. Materials Data on Ni(BW)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651966

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                    The Materials Project. 2020.  
"Materials Data on Ni(BW)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651966.  https://www.osti.gov/servlets/purl/1651966. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1651966,

  title        = {Materials Data on Ni(BW)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(WB)2 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 (2.33 Å) and two longer (2.54 Å) W–B bond lengths. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Ni2+, and one B3- atom. The B–B bond length is 1.86 Å.},

  doi          = {10.17188/1651966},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651966

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Materials Data on Ni(BW)3 by Materials Project

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Ni(WB)3 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 6-coordinate geometry to six B3- atoms. There are a spread of W–B bond distances ranging from 2.31–2.54 Å. In the second 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 2.36–2.48 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. There are two inequivalent B3- sites.more »« less
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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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Fe(WB)2 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 (2.35 Å) and two longer (2.52 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 2.08 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 1.88 Å.

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