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DOE OSTI2020

Materials Data on Dy2Re2Si2C by Materials Project

Dy2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Dy–Si bond distances ranging from 3.02–3.14 Å. Both Dy–C bond lengths are 2.64 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.45 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 Dy3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.55 Å. C4- is bonded to four equivalent Dy3+ and two equivalent Re3+ atoms to form edge-sharing CDy4Re2 octahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on DyRe2SiC by Materials Project

DyRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Dy–Si bond lengths. All Dy–C bond lengths are 2.73 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.50 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Re atoms. C is bonded to four equivalent Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗