Materials Data on LaCr2Si2C by Materials Project

Abstract

LaCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All La–Si bond lengths are 3.12 Å. Both La–C bond lengths are 2.73 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 2.01 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.59 Å. C4- is bonded to two equivalent La3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CLa2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.