Mixed-Anion [AsF6]−/[SbF6]− Salts of Cs+ and [XeF5]+; Incommensurately Modulated Crystal Structures of [XeF5][As1‑xSb x F6] (x ≈ 0.5 and 0.7)

Mixed-Anion [AsF6]−/[SbF6]− Salts of Cs+ and [XeF5]+; Incommensurately Modulated Crystal Structures of [XeF5][As1‑xSb x F6] (x ≈ 0.5 and 0.7)

Crystallizations of CsAsF6/CsSbF6 were carried out in anhydrous hydrogen fluoride (aHF) at various molar ratios. The compositions of the grown single crystals as refined from the X-ray diffraction data correspond to Cs­[As1‑x Sb x F6] (x = 0.13–0.87), which means that most probably all phases with x...

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Veröffentlicht in:Crystal growth & design 2022-05, Vol.22 (5), p.2980-2988
Hauptverfasser: Goreshnik, Evgeny A, Akselrud, Lev G, Mazej, Zoran
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description Crystallizations of CsAsF6/CsSbF6 were carried out in anhydrous hydrogen fluoride (aHF) at various molar ratios. The compositions of the grown single crystals as refined from the X-ray diffraction data correspond to Cs­[As1‑x Sb x F6] (x = 0.13–0.87), which means that most probably all phases with x = 0–1 exist. They crystallize in the trigonal R 3̅ space group (no. 147). As5+ and Sb5+ are randomly distributed on the same crystallographic site. Crystal growth from aHF solutions of dissolved [XeF5]­[AsF6] and [XeF5]­[SbF6] mixtures in different initial ratios resulted in single crystals of [XeF5]­[As1‑x Sb x F6] (x ≈ 0.3 and 0.7) salts. The [XeF5]­[As0.5Sb0.5F6] crystallizes in two crystal modifications at low (α-phase, T < 180 K) and high (β-phase, T > 180 K) temperatures. α-[XeF5]­[As0.5Sb0.5F6] is orthorhombic with space group Pca21 (no. 29). Orthorhombic [XeF5]­[As0.3Sb0.7F6] (100–295 K) and β-[XeF5]­[As0.5Sb0.5F6] adopt a (3 + 1)-dimensionally incommensurately modulated crystal structure (superspace group Ama2­(00g)­s0s). Crystal data of [XeF5]­[As0.3Sb0.7F6]: a = 10.031(1) Å, b = 13.362(1) Å, c = 11.808(1) Å, V = 1582.9(5) Å3, modulation wavevector q = 0.6672c*, and Z = 8 at 200 K. Unit cell parameters of β-[XeF5]­[As0.5Sb0.5F6] at 295 K: a = 10.1196(5) Å, b = 13.4517(6) Å, c = 11.8999(5) Å, V = 1619.8(2)­Å3, modulation wavevector q = 0.6519c*, and Z = 8.
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The compositions of the grown single crystals as refined from the X-ray diffraction data correspond to Cs­[As1‑x Sb x F6] (x = 0.13–0.87), which means that most probably all phases with x = 0–1 exist. They crystallize in the trigonal R 3̅ space group (no. 147). As5+ and Sb5+ are randomly distributed on the same crystallographic site. Crystal growth from aHF solutions of dissolved [XeF5]­[AsF6] and [XeF5]­[SbF6] mixtures in different initial ratios resulted in single crystals of [XeF5]­[As1‑x Sb x F6] (x ≈ 0.3 and 0.7) salts. The [XeF5]­[As0.5Sb0.5F6] crystallizes in two crystal modifications at low (α-phase, T &lt; 180 K) and high (β-phase, T &gt; 180 K) temperatures. α-[XeF5]­[As0.5Sb0.5F6] is orthorhombic with space group Pca21 (no. 29). Orthorhombic [XeF5]­[As0.3Sb0.7F6] (100–295 K) and β-[XeF5]­[As0.5Sb0.5F6] adopt a (3 + 1)-dimensionally incommensurately modulated crystal structure (superspace group Ama2­(00g)­s0s). 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Growth Des</addtitle><description>Crystallizations of CsAsF6/CsSbF6 were carried out in anhydrous hydrogen fluoride (aHF) at various molar ratios. The compositions of the grown single crystals as refined from the X-ray diffraction data correspond to Cs­[As1‑x Sb x F6] (x = 0.13–0.87), which means that most probably all phases with x = 0–1 exist. They crystallize in the trigonal R 3̅ space group (no. 147). As5+ and Sb5+ are randomly distributed on the same crystallographic site. Crystal growth from aHF solutions of dissolved [XeF5]­[AsF6] and [XeF5]­[SbF6] mixtures in different initial ratios resulted in single crystals of [XeF5]­[As1‑x Sb x F6] (x ≈ 0.3 and 0.7) salts. The [XeF5]­[As0.5Sb0.5F6] crystallizes in two crystal modifications at low (α-phase, T &lt; 180 K) and high (β-phase, T &gt; 180 K) temperatures. α-[XeF5]­[As0.5Sb0.5F6] is orthorhombic with space group Pca21 (no. 29). Orthorhombic [XeF5]­[As0.3Sb0.7F6] (100–295 K) and β-[XeF5]­[As0.5Sb0.5F6] adopt a (3 + 1)-dimensionally incommensurately modulated crystal structure (superspace group Ama2­(00g)­s0s). Crystal data of [XeF5]­[As0.3Sb0.7F6]: a = 10.031(1) Å, b = 13.362(1) Å, c = 11.808(1) Å, V = 1582.9(5) Å3, modulation wavevector q = 0.6672c*, and Z = 8 at 200 K. Unit cell parameters of β-[XeF5]­[As0.5Sb0.5F6] at 295 K: a = 10.1196(5) Å, b = 13.4517(6) Å, c = 11.8999(5) Å, V = 1619.8(2)­Å3, modulation wavevector q = 0.6519c*, and Z = 8.</description><issn>1528-7483</issn><issn>1528-7505</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1kEtLw0AUhQdRsFbXbmeplKQzk8ljcFWC1UKLiygIpYR5RVrSRGYSSHcu61LBP9hfYtrUpat74N5zzuUD4BojFyOCh1xaV74pF0uEKWEnoId9Ejmhj_zTP00j7xxcWLtCCIWB5_XAz2zZaOWMimVZwPnIjoPFbvs9nCeiUzDheWVhmcHYDiAvFJy_6rG_GNzBSSHL9VoXtja80vkGzkpV561UMDYbW_EcJpWpZVUbfUjonG0J3n18NYmADWxL4E0Dd59biFz_kI_c8PYSnGU8t_rqOPvgZXz_HD8606eHSTyaOpzQqHKEkogFWqKAMCykxJGnGVWZYBopSggLtQiw8EIlfV_wQGUeZTQgVCFBKCVeHwy7XGlKa43O0nezXHOzSTFK91TTlmraUk2PVFvHoHPsF6uyNkX737_Xv12Ye2A</recordid><startdate>20220504</startdate><enddate>20220504</enddate><creator>Goreshnik, Evgeny A</creator><creator>Akselrud, Lev G</creator><creator>Mazej, Zoran</creator><general>American Chemical Society</general><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0003-3085-7323</orcidid><orcidid>https://orcid.org/0000-0002-4675-2190</orcidid></search><sort><creationdate>20220504</creationdate><title>Mixed-Anion [AsF6]−/[SbF6]− Salts of Cs+ and [XeF5]+; Incommensurately Modulated Crystal Structures of [XeF5][As1‑xSb x F6] (x ≈ 0.5 and 0.7)</title><author>Goreshnik, Evgeny A ; Akselrud, Lev G ; Mazej, Zoran</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a248t-bdc096ec06291bcc183e94dfb9e0d42297eb61b37dc55ba6df3494624d0b24423</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Goreshnik, Evgeny A</creatorcontrib><creatorcontrib>Akselrud, Lev G</creatorcontrib><creatorcontrib>Mazej, Zoran</creatorcontrib><collection>CrossRef</collection><jtitle>Crystal growth &amp; design</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Goreshnik, Evgeny A</au><au>Akselrud, Lev G</au><au>Mazej, Zoran</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Mixed-Anion [AsF6]−/[SbF6]− Salts of Cs+ and [XeF5]+; Incommensurately Modulated Crystal Structures of [XeF5][As1‑xSb x F6] (x ≈ 0.5 and 0.7)</atitle><jtitle>Crystal growth &amp; design</jtitle><addtitle>Cryst. Growth Des</addtitle><date>2022-05-04</date><risdate>2022</risdate><volume>22</volume><issue>5</issue><spage>2980</spage><epage>2988</epage><pages>2980-2988</pages><issn>1528-7483</issn><eissn>1528-7505</eissn><abstract>Crystallizations of CsAsF6/CsSbF6 were carried out in anhydrous hydrogen fluoride (aHF) at various molar ratios. The compositions of the grown single crystals as refined from the X-ray diffraction data correspond to Cs­[As1‑x Sb x F6] (x = 0.13–0.87), which means that most probably all phases with x = 0–1 exist. They crystallize in the trigonal R 3̅ space group (no. 147). As5+ and Sb5+ are randomly distributed on the same crystallographic site. Crystal growth from aHF solutions of dissolved [XeF5]­[AsF6] and [XeF5]­[SbF6] mixtures in different initial ratios resulted in single crystals of [XeF5]­[As1‑x Sb x F6] (x ≈ 0.3 and 0.7) salts. The [XeF5]­[As0.5Sb0.5F6] crystallizes in two crystal modifications at low (α-phase, T &lt; 180 K) and high (β-phase, T &gt; 180 K) temperatures. α-[XeF5]­[As0.5Sb0.5F6] is orthorhombic with space group Pca21 (no. 29). Orthorhombic [XeF5]­[As0.3Sb0.7F6] (100–295 K) and β-[XeF5]­[As0.5Sb0.5F6] adopt a (3 + 1)-dimensionally incommensurately modulated crystal structure (superspace group Ama2­(00g)­s0s). Crystal data of [XeF5]­[As0.3Sb0.7F6]: a = 10.031(1) Å, b = 13.362(1) Å, c = 11.808(1) Å, V = 1582.9(5) Å3, modulation wavevector q = 0.6672c*, and Z = 8 at 200 K. Unit cell parameters of β-[XeF5]­[As0.5Sb0.5F6] at 295 K: a = 10.1196(5) Å, b = 13.4517(6) Å, c = 11.8999(5) Å, V = 1619.8(2)­Å3, modulation wavevector q = 0.6519c*, and Z = 8.</abstract><pub>American Chemical Society</pub><doi>10.1021/acs.cgd.1c01429</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0003-3085-7323</orcidid><orcidid>https://orcid.org/0000-0002-4675-2190</orcidid><oa>free_for_read</oa></addata></record>
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title Mixed-Anion [AsF6]−/[SbF6]− Salts of Cs+ and [XeF5]+; Incommensurately Modulated Crystal Structures of [XeF5][As1‑xSb x F6] (x ≈ 0.5 and 0.7)
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