Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub>
<p>The new polymorph of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> was prepared via solid state reaction route in a powder form and its crystals were grown by self-flux method. The crystal structure was determined from single crysta...
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2019
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| Summary: | <p>The new polymorph of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> was prepared via solid state reaction route in a powder form and its crystals were grown by self-flux method. The crystal structure was determined from single crystal X-ray diffraction data. This polymorph crystallizes with an orthorhombic symmetry, space group <em>Pbca</em>, with <em>a</em> = 9.8313(4), <em>b</em> = 8.7467(3), <em>c</em> = 29.6004(11) Å, <em>V</em> = 2545.38(17) Å3, <em>Z</em> = 8. Its structure refinement yielded the residual factors <em>R</em>(<em>F</em>) = 0.025 and <em>wR</em>(<em>F</em><sup>2</sup>) = 0.065 for 227 parameters and 2605 independent reflections at 2<em>σ(I)</em> level. The use of group-subgroup schemes in the Bärnighausen formalism enabled an accurate comparison of the <em>Pbca</em>- and <em>Cmc</em> 2<sub>1</sub>- polymorphs of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub>. Both polymorphs contain similar [Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub>]<sup>2−</sup> building blocks formed of Mn<sub>2</sub>O<sub>11</sub> dimer units and MnO<sub>5</sub> trigonal pyramids that are interconnected by sharing corners with the SO<sub>4</sub> tetrahedra. However, the stacking of these building blocks along the longest axes of the <em>Pbca</em>- and <em>Cmc</em> 2<sub>1</sub>- structures is different. This induces differences in the coordination of the sodium atoms and in the orientation of the SO<sub>4 </sub>tetrahedra. </p> <h2>Other information </h2> <p>Published in: Zeitschrift für Kristallographie - Crystalline Materials<br> License: <a href="http://creativecommons.org/licenses/by/4.0" target="_blank">http://creativecommons.org/licenses/by/4.0</a><br> See article on publisher's website: <a href="http://dx.doi.org/10.1515/zkri-2019-0038" target="_blank">http://dx.doi.org/10.1515/zkri-2019-0038</a></p> |
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