Materials Data on Zr2CS by Materials Project

Kristin Persson
Zr2SC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge, face, and corner-sharing ZrC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. All Zr–C bond lengths are 2.33 Å. All Zr–S bond lengths are 2.70 Å. C4- is bonded to six equivalent Zr3+ atoms to form CZr6 octahedra that share...
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