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DOE OSTI · 1736490

Materials Data on YCr2Si2C by Materials Project

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Abstract

YCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Y–Si bond lengths are 3.05 Å. Both Y–C bond lengths are 2.63 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.44 Å. Both Cr–C bond lengths are 1.98 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.41 Å. C4- is bonded to two equivalent Y3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CY2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Cr-Si-Ycrystal structureYCr2Si2C

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2020-05-02. Materials Data on YCr2Si2C by Materials Project. https://doi.org/10.17188/1736490

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