Materials Data on Pr2Co2SiC by Materials Project

Abstract

Pr2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Pr2Co2SiC sheets oriented in the (0, 0, 1) direction. Pr3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Pr–C bond lengths are 2.62 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.33 Å. The Co–C bond length is 1.78 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CPr4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Pr3+ and two equivalent Co1+ atoms to form CPr4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CPr4Co2 octahedra.