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DOE OSTI2020

Materials Data on Sm2Re2Si2C by Materials Project

Sm2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Both Sm–C bond lengths are 2.69 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.47 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.65 Å. C4- is bonded to four equivalent Sm3+ and two equivalent Re3+ atoms to form edge-sharing CSm4Re2 octahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmRe2SiC by Materials Project

SmRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm2+ is bonded in a 7-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.04 Å) and two longer (3.14 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.76 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are one shorter (2.49 Å) and two longer (2.52 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm2+ and six equivalent Re3+ atoms. C4- is bonded to four equivalent Sm2+ and two equivalent Re3+ atoms to form a mixture of corner and edge-sharing CSm4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗