Materials Data on TaB2Mo by Materials Project

doi:10.17188/1744395

Title: Materials Data on TaB2Mo by Materials Project

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Abstract

TaMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ta3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.38–2.54 Å. Mo3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.56 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta3+, three equivalent Mo3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ta3+, four equivalent Mo3+, and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1217965

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; TaB2Mo; B-Mo-Ta

OSTI Identifier:: 1744395

DOI:: https://doi.org/10.17188/1744395

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                    The Materials Project. Materials Data on TaB2Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744395.

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                    The Materials Project. Materials Data on TaB2Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1744395

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                    The Materials Project. 2020.  
"Materials Data on TaB2Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1744395.  https://www.osti.gov/servlets/purl/1744395. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744395,

  title        = {Materials Data on TaB2Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ta3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.38–2.54 Å. Mo3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.56 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta3+, three equivalent Mo3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ta3+, four equivalent Mo3+, and two equivalent B3- atoms.},

  doi          = {10.17188/1744395},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744395

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