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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2Re2Si2C by Materials Project

Nd2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.12–3.19 Å. Both Nd–C bond lengths are 2.72 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. All Re–Si bond lengths are 2.47 Å. The Re–C bond length is 1.96 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.75 Å. C4- is bonded to four equivalent Nd3+ and two equivalent Re3+ atoms to form edge-sharing CNd4Re2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdRe2SiC by Materials Project

NdRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd2+ 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 (3.16 Å) Nd–Si bond lengths. All Nd–C bond lengths are 2.77 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are one shorter (2.50 Å) and two longer (2.53 Å) Re–Si bond lengths. The Re–C bond length is 1.97 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Nd2+ and six equivalent Re3+ atoms. C4- is bonded to four equivalent Nd2+ and two equivalent Re3+ atoms to form a mixture of edge and corner-sharing CNd4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗