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Materials Data on Tm2Fe2Si2C by Materials Project

Tm2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are one shorter (2.97 Å) and four longer (2.99 Å) Tm–Si bond lengths. Both Tm–C bond lengths are 2.53 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.27 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Tm3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.66 Å. C4- is bonded to four equivalent Tm3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CTm4Fe2 octahedra.

36 MATERIALS SCIENCE↗

Materials Data on TmFe2SiC by Materials Project

TmFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.92 Å) and two longer (2.95 Å) Tm–Si bond lengths. All Tm–C bond lengths are 2.55 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.34 Å) and one longer (2.35 Å) Fe–Si bond lengths. The Fe–C bond length is 1.77 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tm3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Tm3+ and two equivalent Fe+2.50+ atoms to form a mixture of corner and edge-sharing CTm4Fe2 octahedra. The corner-sharing octahedral tilt angles are 22°.

36 MATERIALS SCIENCE↗