Materials Data on TiReSi by Materials Project

doi:10.17188/1707375

Title: Materials Data on TiReSi by Materials Project

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Abstract

TiReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.79 Å) and four longer (2.92 Å) Ti–Re bond lengths. There are four shorter (2.64 Å) and one longer (2.76 Å) Ti–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Ti and four Si atoms. There are two shorter (2.42 Å) and two longer (2.55 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Re atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Re atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095145

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; TiReSi; Re-Si-Ti

OSTI Identifier:: 1707375

DOI:: https://doi.org/10.17188/1707375

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                    The Materials Project. Materials Data on TiReSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707375.

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                    The Materials Project. Materials Data on TiReSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1707375

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                    The Materials Project. 2020.  
"Materials Data on TiReSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1707375.  https://www.osti.gov/servlets/purl/1707375. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1707375,

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

  author       = {The Materials Project},

  abstractNote = {TiReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.79 Å) and four longer (2.92 Å) Ti–Re bond lengths. There are four shorter (2.64 Å) and one longer (2.76 Å) Ti–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Ti and four Si atoms. There are two shorter (2.42 Å) and two longer (2.55 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Re atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Re atoms.},

  doi          = {10.17188/1707375},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707375

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