Materials Data on Ti2Bi by Materials Project

doi:10.17188/1274233

Title: Materials Data on Ti2Bi by Materials Project

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Abstract

Ti2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to four equivalent Ti and five equivalent Bi atoms. All Ti–Ti bond lengths are 2.87 Å. There are one shorter (2.99 Å) and four longer (3.00 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded to eight Ti and four equivalent Bi atoms to form a mixture of distorted face and corner-sharing TiTi8Bi4 cuboctahedra. All Ti–Ti bond lengths are 3.00 Å. All Ti–Bi bond lengths are 3.00 Å. Bi is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-568069

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; Ti2Bi; Bi-Ti

OSTI Identifier:: 1274233

DOI:: https://doi.org/10.17188/1274233

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                    The Materials Project. Materials Data on Ti2Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274233.

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                    The Materials Project. Materials Data on Ti2Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1274233

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                    The Materials Project. 2020.  
"Materials Data on Ti2Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1274233.  https://www.osti.gov/servlets/purl/1274233. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274233,

  title        = {Materials Data on Ti2Bi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to four equivalent Ti and five equivalent Bi atoms. All Ti–Ti bond lengths are 2.87 Å. There are one shorter (2.99 Å) and four longer (3.00 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded to eight Ti and four equivalent Bi atoms to form a mixture of distorted face and corner-sharing TiTi8Bi4 cuboctahedra. All Ti–Ti bond lengths are 3.00 Å. All Ti–Bi bond lengths are 3.00 Å. Bi is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1274233},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274233

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