An X-ray diffraction study of sodium thiosulphate pentahydrate, Na2S2O3.5H2O

Abstract

R 3 space), and (b) in terms of coordinates x, )S and z and the functions u(r), v(r) and w(r A three-dimensional X-ray diffraction study of sodium thiosulphate pentahydrate was based on densitometer-measured photographic data. The structure was refined by full-matrix least squares to an R (excluding zero-weight data) of 0.082 for 1301 reflexions and an R (including zero-weight data) of 0.089 for 1359 reflexions. The Na-O distances range from 2.386

Heterogeneous Kinetic Features of the Overlapping Thermal Dehydration and Melting of Thermal Energy Storage Material: Sodium Thiosulfate Pentahydrate

“…Figures S1 and S2 in the Supporting Information show the XRD pattern and outward appearance of the sample particles, respectively. The XRD pattern is in perfect agreement with that reported previously for STS-PH (Na 2 S 2 O 3 (H 2 O) 5 , sodium thiosulfate pentahydrate, monoclinic, a = 5.9410, b = 21.5700, c = 7.5250, α = 90.000, β = 103.550, γ = 90.000, ICDD PDF 01-070-0367), − and the analyzed sample exhibits a transparent crystalline form with smooth surfaces.…”

Active site of the solvated thiosulfate ion characterized by hydration structures and dynamics

“…47 The average S-S distance obtained from the QMCF result is 1.981 Å, which is in good agreement with many X-ray and neutron diffraction data from various thiosulfate salts in the solid phase, reporting values in the range of 1.961 to 2.024 Å. [18][19][20][21][22][23][24][25][26][27][28] Interestingly, the optimized geometry of this ion in the gas phase at the MP2/6-31+G(d) level overestimated the S-S distance at 2.093 Å 13,14 comparing to the X-ray and neutron diffraction data. Thus, we also optimized the free thiosulfate ion in both the gas and the polarizable continuum model (PCM) with various levels by using the Gaussian03 package 64 and reported the bond distances in Table 4, which exhibit the effect of solvent on the ion to reduce the bond distances.…”

“…However, there are many available data of crystal structures determined by X-ray and neutron diffraction technique from various thiosulfate salts. [18][19][20][21][22][23][24][25][26][27][28] The calculated spectra of the normal modes for the thiosulfate ion are one of the dynamical properties comparable with the assignment in the Raman spectra obtained from sodium or ammonium thiosulfate in aqueous solutions. 10,[29][30][31] Although the thiosulfate ion is a common ion in aqueous solutions, there are few experimental and theoretical investigations on the hydration properties of this ion.…”

Crystal structure of sodium thiosulfate dihydrate and comparison to the pentahydrate

“…A different, but unindexed XRD powder pattern was reported for a sample without given composition, which was prepared through dehydration of the pentahydrate between 338 and 378 K (Nirsha et al, 1982). Besides these results, the large amount of defined hydrates of Na 2 S 2 O 3 , as implied by the early works, is supported by the structure determinations on single crystals of Na 2 S 2 O 3 Á2/3H 2 O (Hesse et al, 1993), Na 2 S 2 O 3 Á5/4H 2 O (Chan et al, 2008) and Na 2 S 2 O 3 Á5H 2 O (Taylor & Beevers, 1952;Padmanabhan et al, 1971;Uraz & Armag ˇan, 1977;Lisensky & Levy, 1978;Prasad & Rani, 2001). Nevertheless, despite the evidence for its existence, for the dihydrate no structure information is available to date.…”