Materials Data on Sm2Mo2C3 by Materials Project

Sm2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Sm–C bond distances ranging from 2.54–2.71 Å. Mo3+ is bonded to four C4- atoms to form a mixture of corner and edge-sharing MoC4 trigonal pyramids. There are a spread of Mo–C bond distances ranging from 2.04–2.13 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Sm3+ and two equivalent Mo3+ atoms to form CSm4Mo2 octahedra that share corners with twelve equivalent CSm3Mo3 octahedra, edges with two equivalent CSm4Mo2 octahedra, and faces with two equivalent CSm3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. In the second C4- site, C4- is bonded to three equivalent Sm3+ and three equivalent Mo3+ atoms to form CSm3Mo3 octahedra that share corners with six equivalent CSm4Mo2 octahedra, edges with six equivalent CSm3Mo3 octahedra, and a faceface with one CSm4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 42–60°.