Materials Data on PrCr2Si2C by Materials Project

Abstract

PrCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Pr–Si bond lengths are 3.10 Å. Both Pr–C bond lengths are 2.70 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.47 Å. Both Cr–C bond lengths are 2.00 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.53 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CPr2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.