Neutron powder diffraction study of A2BeF4 (A=K, Rb, Cs): Structure refinement and analysis of background

Silva, Iván da; González-Silgo, C.; González‐Platas, Javier; Rodrı́guez-Carvajal, J.; Martínez-Sarrión, M.L.; Mestres, L.

doi:10.1016/j.jssc.2005.02.026

Cited by 4 publications

(1 citation statement)

References 14 publications

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“…Interest in the title compounds was generated by a previous analysis of the members of the -K 2 SO 4 family with simple (non-complex) cations (Fa Â bry & Pe Â rez-Mato, 1993) [see also Beznosikov (1993) and da Silva et al (2005)]. This analysis resulted in the setting of criteria that enable qualitative distinction of the simple-cation members of the -K 2 SO 4 family that undergo low-temperature phase transitions from the stable compounds.…”

Section: Commentmentioning

confidence: 99%

Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

et al. 2006

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The structure of Rb2PO3F was determined at 290 and 130 K, while that of Cs2PO3F was determined at 240 and 100 K. Both compounds belong to the beta-K2SO4 family. The structure analysis did not reveal signs of a phase transition in either compound. Crystal chemical considerations do not favour the presence of a phase transition in either Rb2PO3F or Cs2PO3F. However, glass-like phase transitions were observed by differential scanning calorimetry in slightly humid samples at 175 and 177 K for Rb2PO3F and Cs2PO3F, respectively, but were not observed in well dried samples. The bond distances are normal and Cs2PO3F is twinned.

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Section: Commentmentioning

confidence: 99%

Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

et al. 2006

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Thermodynamic description of the K, Be//F, Cl salt system with first-principles calculations

Wang

Robelin

Jin

et al. 2019

Journal of Molecular Liquids

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Powder neutron diffraction of Tl₂BeF₄at six temperatures from room temperature to 1.5 K

Silva¹,

González-Silgo

González‐Platas

et al. 2005

Acta Crystallogr C

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The structure of thallium fluoroberyllate, Tl2BeF4, has been analysed by the Rietveld method on neutron diffraction patterns collected at 1.5, 50, 100, 150, 200 and 300 K, with the aim of detecting low-temperature instabilities. Atomic parameters based on the isomorphic beta-K2SO4 crystal in the paraelectric phase were used as the starting model at room temperature; no evidence for any phase transition has been detected at lower temperature. The structure was determined in the orthorhombic space group Pnma. All the atoms (except one F atom) occupy sites with m symmetry. We have compared the structure with those of other compounds of the beta-K2SO4 family, at room temperature, in order to gain insight into their observed instabilities. The irregular coordination of the cations may indicate stereochemical activity of the TlI lone pair but does not indicate a possible structural instability.

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Neutron powder diffraction study of A2BeF4 (A=K, Rb, Cs): Structure refinement and analysis of background

Cited by 4 publications

References 14 publications

Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

Thermodynamic description of the K, Be//F, Cl salt system with first-principles calculations

Powder neutron diffraction of Tl₂BeF₄at six temperatures from room temperature to 1.5 K

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Neutron powder diffraction study of A2BeF4 (A=K, Rb, Cs): Structure refinement and analysis of background

Cited by 4 publications

References 14 publications

Dirubidium fluorotrioxophosphate, Rb2PO3F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs2PO3F, at 240 and 100 K

Dirubidium fluorotrioxophosphate, Rb2PO3F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs2PO3F, at 240 and 100 K

Thermodynamic description of the K, Be//F, Cl salt system with first-principles calculations

Powder neutron diffraction of Tl2BeF4at six temperatures from room temperature to 1.5 K

Contact Info

Product

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Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

Dirubidium fluorotrioxophosphate, Rb₂PO₃F, at 290 and 130 K, and dicaesium fluorotrioxophosphate, Cs₂PO₃F, at 240 and 100 K

Powder neutron diffraction of Tl₂BeF₄at six temperatures from room temperature to 1.5 K