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DOE OSTI · 1687922

Materials Data on ErPRu2C by Materials Project

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Abstract

ErRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Er–C bond lengths are 2.62 Å. There are one shorter (3.07 Å) and two longer (3.11 Å) Er–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 1.86 Å. There are one shorter (2.41 Å) and two longer (2.45 Å) Ru–P bond lengths. C4- is bonded to four equivalent Er3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru2+ atoms.

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36 MATERIALS SCIENCEC-Er-P-Rucrystal structureErPRu2C

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2020-05-02. Materials Data on ErPRu2C by Materials Project. https://doi.org/10.17188/1687922

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