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DOE OSTI · 1683123

Materials Data on La3Ir by Materials Project

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Abstract

La3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.94 Å) and one longer (2.99 Å) La–Ir bond lengths. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (3.05 Å) La–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six La atoms.

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36 MATERIALS SCIENCEcrystal structureIr-LaLa3Ir

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2020-05-02. Materials Data on La3Ir by Materials Project. https://doi.org/10.17188/1683123

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