Materials Data on Os3W3C2 by Materials Project

WOs3(WC)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one tungsten molecule and one Os3(WC)2 sheet oriented in the (0, 0, 1) direction. In the Os3(WC)2 sheet, W+4.67+ is bonded in a 3-coordinate geometry to three equivalent Os2- atoms. All W–Os bond lengths are 2.75 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 3-coordinate geometry to three equivalent W+4.67+ and three equivalent C4- atoms. All Os–C bond lengths are 2.12 Å. In the second Os2- site, Os2- is bonded to six equivalent C4- atoms to form distorted edge-sharing OsC6 octahedra. All Os–C bond lengths are 2.22 Å. C4- is bonded to six Os2- atoms to form a mixture of corner and edge-sharing COs6 octahedra. The corner-sharing octahedral tilt angles are 0°.