Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation
Two polytypic modifications of new non-centrosymmetric iodate Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> are synthesized hydrothermally. Their structures demonstrate different degrees of ordering and are solved in the same space group, <i>Pc</i>, wit...
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MDPI AG
2022-08-01
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| Series: | Symmetry |
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| Online Access: | https://www.mdpi.com/2073-8994/14/8/1699 |
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| author | Olga Reutova Elena Belokoneva Anatoly Volkov Olga Dimitrova Sergey Stefanovich |
| author_facet | Olga Reutova Elena Belokoneva Anatoly Volkov Olga Dimitrova Sergey Stefanovich |
| author_sort | Olga Reutova |
| collection | DOAJ |
| description | Two polytypic modifications of new non-centrosymmetric iodate Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> are synthesized hydrothermally. Their structures demonstrate different degrees of ordering and are solved in the same space group, <i>Pc</i>, with differing choice of b-axis: either 20 or 40 Å is selected from the same diffraction data, measured on crystals with better ordering. The difference in NLO properties of two polytypes is disclosed. Topology–symmetry analysis of separated blocks and layers allowed determination of local symmetry corresponding to mirror plane m, which defines strong optical nonlinearity. Layer alternation indicates a polytypic nature of Rb, Sc-iodate and its similarity to K, In- and K, Sc-nonlinear-optical iodate crystals, space group <i>Fdd</i>2, belonging to the proposed common family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In), whose properties are explained on a symmetry basis for every known member. Hypothetical structural variant is predicted; structural disorder and crystal growth conditions are discussed as factors affecting properties. |
| first_indexed | 2024-03-09T09:48:52Z |
| format | Article |
| id | doaj.art-6bdb1e97aaa047bb98258b127a10ddbe |
| institution | Directory Open Access Journal |
| issn | 2073-8994 |
| language | English |
| last_indexed | 2024-03-09T09:48:52Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Symmetry |
| spelling | doaj.art-6bdb1e97aaa047bb98258b127a10ddbe2023-12-02T00:22:04ZengMDPI AGSymmetry2073-89942022-08-01148169910.3390/sym14081699Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties RelationOlga Reutova0Elena Belokoneva1Anatoly Volkov2Olga Dimitrova3Sergey Stefanovich4Department of Crystallography and Crystal Chemistry, Geological Faculty, Lomonosov Moscow State University, 119991 Moscow, RussiaDepartment of Crystallography and Crystal Chemistry, Geological Faculty, Lomonosov Moscow State University, 119991 Moscow, RussiaDepartment of Crystallography and Crystal Chemistry, Geological Faculty, Lomonosov Moscow State University, 119991 Moscow, RussiaDepartment of Crystallography and Crystal Chemistry, Geological Faculty, Lomonosov Moscow State University, 119991 Moscow, RussiaLaboratory of Functional Materials, Chemical Faculty, Lomonosov Moscow State University, 119991 Moscow, RussiaTwo polytypic modifications of new non-centrosymmetric iodate Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> are synthesized hydrothermally. Their structures demonstrate different degrees of ordering and are solved in the same space group, <i>Pc</i>, with differing choice of b-axis: either 20 or 40 Å is selected from the same diffraction data, measured on crystals with better ordering. The difference in NLO properties of two polytypes is disclosed. Topology–symmetry analysis of separated blocks and layers allowed determination of local symmetry corresponding to mirror plane m, which defines strong optical nonlinearity. Layer alternation indicates a polytypic nature of Rb, Sc-iodate and its similarity to K, In- and K, Sc-nonlinear-optical iodate crystals, space group <i>Fdd</i>2, belonging to the proposed common family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In), whose properties are explained on a symmetry basis for every known member. Hypothetical structural variant is predicted; structural disorder and crystal growth conditions are discussed as factors affecting properties.https://www.mdpi.com/2073-8994/14/8/1699iodateshydrothermal synthesissingle-crystal X-ray diffractionnonlinear optical propertiestopology–symmetry analysisorder–disorder |
| spellingShingle | Olga Reutova Elena Belokoneva Anatoly Volkov Olga Dimitrova Sergey Stefanovich Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation Symmetry iodates hydrothermal synthesis single-crystal X-ray diffraction nonlinear optical properties topology–symmetry analysis order–disorder |
| title | Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation |
| title_full | Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation |
| title_fullStr | Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation |
| title_full_unstemmed | Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation |
| title_short | Two New Rb<sub>3</sub>Sc(IO<sub>3</sub>)<sub>6</sub> Polytypes in Proposed Nonlinear Optical Family A<sub>3</sub>M(IO<sub>3</sub>)<sub>6</sub> (A = K, Rb; M = Sc, In): Topology–Symmetry Analysis, Order–Disorder and Structure–Properties Relation |
| title_sort | two new rb sub 3 sub sc io sub 3 sub sub 6 sub polytypes in proposed nonlinear optical family a sub 3 sub m io sub 3 sub sub 6 sub a k rb m sc in topology symmetry analysis order disorder and structure properties relation |
| topic | iodates hydrothermal synthesis single-crystal X-ray diffraction nonlinear optical properties topology–symmetry analysis order–disorder |
| url | https://www.mdpi.com/2073-8994/14/8/1699 |
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