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Shikano, Masahiro
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article
Crystal structure of the alluaudite Ag<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>3</sub>
Abstract
<jats:title>Abstract</jats:title><jats:p>The new compound Ag<jats:sub>2</jats:sub>Mn<jats:sub>3</jats:sub>(VO<jats:sub>4</jats:sub>)<jats:sub>3</jats:sub> was synthesized by hydrothermal and solid state reaction routes, and its crystal structure was determined from single-crystal X-ray diffraction data. Ag<jats:sub>2</jats:sub>Mn<jats:sub>3</jats:sub>(VO<jats:sub>4</jats:sub>)<jats:sub>3</jats:sub> crystallizes with a monoclinic symmetry, space group <jats:italic>C</jats:italic>2/<jats:italic>c</jats:italic>, with <jats:italic>a</jats:italic>=11.8968(11) Å, <jats:italic>b</jats:italic>=13.2057(13) Å, <jats:italic>c</jats:italic>=6.8132(7) Å, <jats:italic>β</jats:italic>=111.3166(15) (°) and <jats:italic>V</jats:italic>=997.16(17) Å<jats:sup>3</jats:sup> (<jats:italic>Z</jats:italic>=4). Its crystal refinement yielded the residual factors <jats:italic>R</jats:italic>(<jats:italic>F</jats:italic>)=0.0249 and <jats:italic>wR</jats:italic>(<jats:italic>F</jats:italic><jats:sup>2</jats:sup>)=0.0704 for 95 parameters and 1029 independent reflections at a 3<jats:italic>σ</jats:italic>(<jats:italic>I</jats:italic>) level. Ag<jats:sub>2</jats:sub>Mn<jats:sub>3</jats:sub>(VO<jats:sub>4</jats:sub>)<jats:sub>3</jats:sub> can be considered as a new member of the <jats:italic>AA</jats:italic>′<jats:italic>MM</jats:italic>′<jats:sub>2</jats:sub>(<jats:italic>X</jats:italic>O<jats:sub>4</jats:sub>)<jats:sub>3</jats:sub> alluaudite family. The specific arrangement of <jats:italic>M</jats:italic> and <jats:italic>M</jats:italic>′ octahedral sites and of <jats:italic>X</jats:italic> tetrahedral sites gives rise to two different channels aligned along the crystallographic <jats:italic>c</jats:italic>-axis and containing the <jats:italic>A</jats:italic> and <jats:italic>A</jats:italic>′ sites. The <jats:italic>A</jats:italic>, <jats:italic>A</jats:italic>′, <jats:italic>M</jats:italic>, and <jats:italic>X</jats:italic> sites are fully occupied by Ag<jats:sup>+</jats:sup>, Mn<jats:sup>2+</jats:sup>, and V<jats:sup>5+</jats:sup>, respectively; whereas a Mn<jats:sup>2+</jats:sup>/Mn<jats:sup>3+</jats:sup> mixture is observed in the <jats:italic>M</jats:italic>′ site.</jats:p>