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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2Re2Si2C by Materials Project

Ce2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Ce–Si bond distances ranging from 3.09–3.18 Å. Both Ce–C bond lengths are 2.68 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are one shorter (2.47 Å) and two longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ce3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.59 Å. C4- is bonded to four equivalent Ce3+ and two equivalent Re3+ atoms to form edge-sharing CCe4Re2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeRe2SiC by Materials Project

CeRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.07 Å) and two longer (3.14 Å) Ce–Si bond lengths. All Ce–C bond lengths are 2.75 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.50 Å) and two longer (2.52 Å) Re–Si bond lengths. The Re–C bond length is 1.96 Å. Si is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Re atoms. C is bonded to four equivalent Ce and two equivalent Re atoms to form a mixture of edge and corner-sharing CCe4Re2 octahedra. The corner-sharing octahedral tilt angles are 21°.

36 MATERIALS SCIENCE↗