Materials Data on Nd2Co2SiC by Materials Project

Abstract

Nd2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Nd2Co2SiC sheets oriented in the (0, 0, 1) direction. Nd3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Nd–C bond lengths are 2.60 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.32 Å. The Co–C bond length is 1.77 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CNd4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Nd3+ and two equivalent Co1+ atoms to form CNd4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CNd4Co2 octahedra.