A single-crystal study of eight-layer barium niobium lithium oxide,Ba4Nb3LiO12期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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A single-crystal study of eight-layer barium niobium lithium oxide,Ba₄Nb₃LiO₁₂

Authors:	Eugene F Jendrek Alan D Potoff Lewis Katz

Institution:	1. Department of Chemistry, University of Connecticut, Storrs, Connecticut 06268 USA;2. Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06268 USA

Abstract:	A single-crystal study of a sample of Ba₄Nb₃LiO₁₂ provided by Dr. T. Negas has been carried out and confirms the \|(4)\|(4)\| layer stacking scheme (Zhdanov notation) for the eight BaO₃ layers per unit cell. Of the eight MO₆ octahedra per cell (M = Nb or Li), four share faces in pairs, and these pairs are linked by pairs of corner-sharing MO₆ octahedra. The compound has an hexagonal cell of dimensions a = 5.777 ± 0.006 Å and c = 18.95 ± 0.03 Å, probable space group $P6_{3} mmc, Z = 2$ . The theoretical density is 6.22 g/cm³; within the limit of error of the pycnometrically measured density, 6.08 ± 0.06 g/cm³. The study was carried out with 620 independent reflections, of which 437 were considered observed, collected by automated counter methods and refined by least-squares to a conventional R value of 0.076.

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