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DOE OSTI · 1667225

Materials Data on SmPRu2C by Materials Project

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Abstract

SmRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Sm–C bond lengths are 2.68 Å. There are one shorter (3.04 Å) and two longer (3.13 Å) Sm–P bond lengths. Ru2+ is bonded in a single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.45 Å) and two longer (2.48 Å) Ru–P bond lengths. C4- is bonded to four equivalent Sm3+ and two equivalent Ru2+ atoms to form a mixture of corner and edge-sharing CSm4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°. P3- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ru2+ atoms.

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36 MATERIALS SCIENCEC-P-Ru-Smcrystal structureSmPRu2C

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2020-07-16. Materials Data on SmPRu2C by Materials Project. https://doi.org/10.17188/1667225

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