Materials Data on TbCr2Si2C by Materials Project

Abstract

TbCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Tb–Si bond lengths are 3.05 Å. Both Tb–C bond lengths are 2.63 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 2.44 Å. Both Cr–C bond lengths are 1.98 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.41 Å. C4- is bonded to two equivalent Tb3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CTb2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.