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Materials Data on Pr2Fe2Si2C by Materials Project

Pr2Fe2Si2C 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 3.05–3.22 Å. Both Pr–C bond lengths are 2.69 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.30 Å. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Pr3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Pr3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CPr4Fe2 octahedra.

36 MATERIALS SCIENCE↗