Materials Data on CeSi2Mo2C by Materials Project

Abstract

CeMo2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Ce–Si bond lengths are 3.21 Å. Both Ce–C bond lengths are 2.68 Å. Mo+4.50+ is bonded to four equivalent Si4- and two equivalent C4- atoms to form a mixture of distorted corner, edge, and face-sharing MoSi4C2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–Si bond lengths are 2.59 Å. Both Mo–C bond lengths are 2.11 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Mo+4.50+, and one Si4- atom. The Si–Si bond length is 2.35 Å. C4- is bonded to two equivalent Ce3+ and four equivalent Mo+4.50+ atoms to form corner-sharing CCe2Mo4 octahedra. The corner-sharing octahedral tilt angles are 0°.