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DOE OSTI · 1666735

Materials Data on YPRu2C by Materials Project

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Abstract

YRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Y–C bond lengths are 2.64 Å. There are one shorter (3.06 Å) and two longer (3.12 Å) Y–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.43 Å) and two longer (2.47 Å) Ru–P bond lengths. C4- is bonded to four equivalent Y3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CY4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Ru2+ atoms.

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36 MATERIALS SCIENCEC-P-Ru-Ycrystal structureYPRu2C

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2020-07-23. Materials Data on YPRu2C by Materials Project. https://doi.org/10.17188/1666735

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36 MATERIALS SCIENCE↗