“…However, unlike NaN 3 it does not undergo any temperature-induced phase transitions at atmospheric pressure and therefore no structural analogue of α-NaN 3 exists for NaHF 2 [48,49]. Furthermore, the high-pressure behaviour of sodium bifluoride has been shown to display very little in common with that of sodium azide.…”
This paper reports the structural characterization of sodium azide and sodium bifluoride (hydrogenfluoride) at elevated pressures using neutron powder diffraction. Compression of sodium azide at 294 K induces a transition from the β-phase to the α-phase. This structure responds to increasing pressure by progressive tilting of the azide groups. Compression of the α-form to 3.33 GPa at 393 K results in a phase transition to the tetragonal γ-phase (space group I4/mcm), which is isostructural with the azides of the heavier Group 1 elements and features square-antiprism co-ordination of the cations. On decompression at ambient temperature, the γ-phase reverts to the α-phase, but with substantial peak broadening indicative of significant strain within the recovered sample. Compression of sodium bifluoride (NaDF 2 -I to 0.66 GPa at ambient temperature resulted in the formation of NaDF 2 -II, which adopts an orthorhombic, marcasite-like (space group Pnnm) structure. Further compression to 4.58 GPa resulted in a transition to NaDF 2 -III, which adopts the archetypal I4/mcm structure shared by the heavier alkali metal bifluorides and γ-NaN 3 .
“…However, unlike NaN 3 it does not undergo any temperature-induced phase transitions at atmospheric pressure and therefore no structural analogue of α-NaN 3 exists for NaHF 2 [48,49]. Furthermore, the high-pressure behaviour of sodium bifluoride has been shown to display very little in common with that of sodium azide.…”
This paper reports the structural characterization of sodium azide and sodium bifluoride (hydrogenfluoride) at elevated pressures using neutron powder diffraction. Compression of sodium azide at 294 K induces a transition from the β-phase to the α-phase. This structure responds to increasing pressure by progressive tilting of the azide groups. Compression of the α-form to 3.33 GPa at 393 K results in a phase transition to the tetragonal γ-phase (space group I4/mcm), which is isostructural with the azides of the heavier Group 1 elements and features square-antiprism co-ordination of the cations. On decompression at ambient temperature, the γ-phase reverts to the α-phase, but with substantial peak broadening indicative of significant strain within the recovered sample. Compression of sodium bifluoride (NaDF 2 -I to 0.66 GPa at ambient temperature resulted in the formation of NaDF 2 -II, which adopts an orthorhombic, marcasite-like (space group Pnnm) structure. Further compression to 4.58 GPa resulted in a transition to NaDF 2 -III, which adopts the archetypal I4/mcm structure shared by the heavier alkali metal bifluorides and γ-NaN 3 .
“…The question of a double minimum in the bifluoride ion, analogous to the double minimum in the potential between oxygen atoms in a hydrogen bonded substance has been repeatedly examined by Westrum and his co-workers [32][33][34][35][36][37] and by others .…”
Section: Hf(aq6017 H 2 O) = Hf(g)mentioning
confidence: 99%
“…In particular, little evidence referring specifically to LiHFp has been presented except the crystal structure [56], which gives the F-F bond distance, and a heat capacity and vapor pressure study by Westrum and Burney [35]. Unfortunately, the calorimetric and vapor pressure measurements by Westrum and Burney, which could give decisive information on this point, are not complete.…”
Section: Hf(aq6017 H 2 O) = Hf(g)mentioning
confidence: 99%
“…This is not decisive, because the discrepancy can be attributed to another source, an error in the heat of formation selected by Cox and Harrop [29] for Z\H"[HF ( (a) and for the heat capacity of LiF(c). But the low temperature heat capacity measurements of LlHF 2 (c) [35] stop short of the range in which pressure measurements were made. Only an isolated A;apor pressure point in the range of the heat capacity measurements exists, and this was ued by Cox and Harrop [29] in their calculation.…”
mentioning
confidence: 99%
“…Using the collective description of electron interactions developed by Bohm and Pines [32][33][34] , Pines determined a correlation energy of Ecorr = 0*0313 In(rg) -0*114 -0*005rg* ( 8 ) Later Nozieres and Pines [35] used this method to develop an interpolation procedure that gives for metallic densities the equation Ecorr= 0*031 In(rg) -0*115* ( 9 ) Carr, Coldwell-Horsf all and Fein [36] calculated the first anharmonic contribution to the ground state energy of an electron gas* They found for low densities or large r^the approximation …”
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.