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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Re2Si2C by Materials Project

Er2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Er–Si bond distances ranging from 3.00–3.13 Å. Both Er–C bond lengths are 2.62 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 1.94 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Er3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.52 Å. C4- is bonded to four equivalent Er3+ and two equivalent Re3+ atoms to form edge-sharing CEr4Re2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErRe2SiC by Materials Project

ErRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er 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) Er–Si bond lengths. All Er–C bond lengths are 2.72 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 (2.49 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 Er and six equivalent Re atoms. C is bonded to four equivalent Er and two equivalent Re atoms to form a mixture of corner and edge-sharing CEr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗