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DOE OSTI · 1737209

Materials Data on TiCuSiAs by Materials Project

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Abstract

TiCuSiAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to four equivalent Si4- and four equivalent As1- atoms. All Ti–Si bond lengths are 2.68 Å. All Ti–As bond lengths are 2.66 Å. Cu1+ is bonded in a 4-coordinate geometry to four equivalent As1- atoms. All Cu–As bond lengths are 2.52 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.52 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEAs-Cu-Si-Ticrystal structureTiCuSiAs

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2020-05-02. Materials Data on TiCuSiAs by Materials Project. https://doi.org/10.17188/1737209

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