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DOE OSTI2020

Materials Data on Pr2Re2Si2C by Materials Project

Pr2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Pr–Si bond distances ranging from 3.14–3.21 Å. Both Pr–C bond lengths are 2.74 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 Pr3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.83 Å. C4- is bonded to four equivalent Pr3+ and two equivalent Re3+ atoms to form edge-sharing CPr4Re2 octahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on PrRe2SiC by Materials Project

PrRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.04 Å) and two longer (3.17 Å) Pr–Si bond lengths. All Pr–C bond lengths are 2.78 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.51 Å) and two longer (2.54 Å) Re–Si bond lengths. The Re–C bond length is 1.97 Å. Si is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Re atoms. C is bonded to four equivalent Pr and two equivalent Re atoms to form a mixture of edge and corner-sharing CPr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗