Materials Data on TaNiB2 by Materials Project

doi:10.17188/1198913

Title: Materials Data on TaNiB2 by Materials Project

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Abstract

TaNiB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Ta–B bond distances ranging from 2.40–2.55 Å. Ni1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.17 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Ni1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Ni1+, and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-22709

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; TaNiB2; B-Ni-Ta

OSTI Identifier:: 1198913

DOI:: https://doi.org/10.17188/1198913

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                    The Materials Project. Materials Data on TaNiB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198913.

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                    The Materials Project. Materials Data on TaNiB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198913

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                    The Materials Project. 2020.  
"Materials Data on TaNiB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198913.  https://www.osti.gov/servlets/purl/1198913. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1198913,

  title        = {Materials Data on TaNiB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaNiB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Ta–B bond distances ranging from 2.40–2.55 Å. Ni1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.17 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Ni1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Ni1+, and two equivalent B3- atoms.},

  doi          = {10.17188/1198913},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198913

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