Materials Data on ZrWC2 by Materials Project
ZrWC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Zr–C bond lengths are 2.33 Å. W6+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All W–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Zr2+ and three equivalent W6+ atoms to form a mixture of edge and corner-sharing CZr3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.