Materials Data on Ti8Bi9 by Materials Project

doi:10.17188/1279888

Title: Materials Data on Ti8Bi9 by Materials Project

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Abstract

Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-640045

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; Ti8Bi9; Bi-Ti

OSTI Identifier:: 1279888

DOI:: https://doi.org/10.17188/1279888

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                    The Materials Project. Materials Data on Ti8Bi9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279888.

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                    The Materials Project. Materials Data on Ti8Bi9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279888

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                    The Materials Project. 2020.  
"Materials Data on Ti8Bi9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279888.  https://www.osti.gov/servlets/purl/1279888. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1279888,

  title        = {Materials Data on Ti8Bi9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.},

  doi          = {10.17188/1279888},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279888

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