Materials Data on PrSi2Mo2C by Materials Project

Abstract

PrMo2Si2C 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 3.23 Å. Both Pr–C bond lengths are 2.72 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted face, edge, and corner-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.60 Å. Both Mo–C bond lengths are 2.12 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.42 Å. C4- is bonded to two equivalent Pr3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CPr2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.