Materials Data on Ti2ReB2 by Materials Project

doi:10.17188/1186667

Title: Materials Data on Ti2ReB2 by Materials Project

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Abstract

Ti2ReB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to four equivalent Re and six equivalent B atoms. All Ti–Re bond lengths are 2.70 Å. There are four shorter (2.38 Å) and two longer (2.39 Å) Ti–B bond lengths. Re is bonded to eight equivalent Ti and four equivalent B atoms to form a mixture of face and corner-sharing ReTi8B4 cuboctahedra. All Re–B bond lengths are 2.42 Å. B is bonded in a 9-coordinate geometry to six equivalent Ti, two equivalent Re, and one B atom. The B–B bond length is 1.82 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10136

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; Ti2ReB2; B-Re-Ti

OSTI Identifier:: 1186667

DOI:: https://doi.org/10.17188/1186667

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                    The Materials Project. Materials Data on Ti2ReB2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186667.

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                    The Materials Project. Materials Data on Ti2ReB2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186667

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                    The Materials Project. 2020.  
"Materials Data on Ti2ReB2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186667.  https://www.osti.gov/servlets/purl/1186667. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186667,

  title        = {Materials Data on Ti2ReB2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2ReB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to four equivalent Re and six equivalent B atoms. All Ti–Re bond lengths are 2.70 Å. There are four shorter (2.38 Å) and two longer (2.39 Å) Ti–B bond lengths. Re is bonded to eight equivalent Ti and four equivalent B atoms to form a mixture of face and corner-sharing ReTi8B4 cuboctahedra. All Re–B bond lengths are 2.42 Å. B is bonded in a 9-coordinate geometry to six equivalent Ti, two equivalent Re, and one B atom. The B–B bond length is 1.82 Å.},

  doi          = {10.17188/1186667},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1186667

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