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...
محفوظ في:
| المؤلف الرئيسي: | |
|---|---|
| منشور في: |
2019
|
| الموضوعات: | |
| الوسوم: |
إضافة وسم
لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!
|
| _version_ | 1864513551806234624 |
|---|---|
| author | Hamdi Ben Yahia (14579467) |
| author_facet | Hamdi Ben Yahia (14579467) |
| author_role | author |
| dc.creator.none.fl_str_mv | Hamdi Ben Yahia (14579467) |
| dc.date.none.fl_str_mv | 2019-10-28T00:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1515/zkri-2019-0038 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Crystal_structure_of_a_new_polymorphic_modification_of_Na_sub_2_sub_Mn_sub_3_sub_SO_sub_4_sub_sub_4_sub_/22046495 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Chemical sciences Inorganic chemistry polymorphism self-flux crystal growth method single crystal structure sulphate |
| dc.title.none.fl_str_mv | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <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> |
| eu_rights_str_mv | openAccess |
| id | Manara2_51395d641ac465fb9fe0bd008e1357b6 |
| identifier_str_mv | 10.1515/zkri-2019-0038 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/22046495 |
| publishDate | 2019 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub>Hamdi Ben Yahia (14579467)Chemical sciencesInorganic chemistrypolymorphismself-flux crystal growth methodsingle crystal structuresulphate<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>2019-10-28T00:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1515/zkri-2019-0038https://figshare.com/articles/journal_contribution/Crystal_structure_of_a_new_polymorphic_modification_of_Na_sub_2_sub_Mn_sub_3_sub_SO_sub_4_sub_sub_4_sub_/22046495CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/220464952019-10-28T00:00:00Z |
| spellingShingle | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> Hamdi Ben Yahia (14579467) Chemical sciences Inorganic chemistry polymorphism self-flux crystal growth method single crystal structure sulphate |
| status_str | publishedVersion |
| title | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| title_full | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| title_fullStr | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| title_full_unstemmed | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| title_short | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| title_sort | Crystal structure of a new polymorphic modification of Na<sub>2</sub>Mn<sub>3</sub>(SO<sub>4</sub>)<sub>4</sub> |
| topic | Chemical sciences Inorganic chemistry polymorphism self-flux crystal growth method single crystal structure sulphate |