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High-pressure synthesis of β-Ir4B5 and determination of the compressibility of various iridium borides

dc.contributor.authorPetermueller, Benedikt
dc.contributor.authorNeun, Christopher
dc.contributor.authorWurst, Klaus
dc.contributor.authorBayarjargal, Lkhamsuren
dc.contributor.authorZimmer, Dominik
dc.contributor.authorMorgenroth, Wolfgang
dc.contributor.authorÁvalos Borja, Miguel
dc.contributor.authorBecerril Juárez, Ignacio Guadalupe
dc.contributor.authorMuehlbauer, Martin
dc.contributor.authorWinkler, Bjoern
dc.contributor.authorHuppertz, Hubert
dc.identifier.citationInorg. Chem. 2018, 57, 16, 10341-10351
dc.description.abstract"A new iridium boride, beta-Ir4B5, was synthesized under high-pressure/high-temperature conditions of 10.5 GPa and 1500 degrees C in a multianvil press with a Walker-type module. The new modification beta-Ir4B5 crystallizes in a new structure type in the orthorhombic space group Pnma (no. 62) with the lattice parameters a = 10.772(2) angstrom, b = 2.844(1) angstrom, and c = 6.052(2) angstrom with R1 = 0.0286, wR2 = 0.0642 (all data), and Z = 2. The structure was determined by single-crystal X-ray and neutron powder diffraction on samples enriched in B-11. The compound is built up by an alternating stacking of boron and iridium layers with the sequence ABA'B'. Additionally, microcalorimetry, hardness, and compressibility measurements of the binary iridium borides alpha-Ir4B5, beta-Ir4B5, Ir5B4, hexagonal Ir4B3-x and orthorhombic Ir4B3-x were carried out and theoretical investigations based on density function theory (DFT) were employed to complement a comprehensive evaluation of structure-property relations. The incorporation of boron into the structures does not enhance the compressibility but leads to a significant reduction of the bulk moduli and elastic constants in comparison to elemental iridium."
dc.publisherAmerican Chemical Society
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional
dc.titleHigh-pressure synthesis of β-Ir4B5 and determination of the compressibility of various iridium borides
dc.rights.accessAcceso Abierto

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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 Internacional