The solid phases of deuterium sulphide by powder neutron diffraction
Abstract
Powder neutron diffraction studies confirm that D2S has 3 solid-state phases at ambient pressure. Phases I and II are cubic and orientationally disordered with space groups Fm[unk]m (a = 5.8486(8) Å at 160 K) and Pa[unk] (a = 5.7647(6) Å at 120 K), respectively. The deuterium scattering density arising from the disorder is modelled using symmetry-adapted spherical harmonic functions, which show a reduction from “twelve-fold” to “six-fold” disorder on cooling from phase I to phase II. For the fully ordered low-temperature phase III, a new structure has been determined which bears little resemblance to that reported in a previous neutron diffraction study. The structure is orthorhombic, space group Pbcm, with a = 4.0760(1) Å, b = 13.3801(5) Å and c = 6.7215(3) A at 1.5 K. The structure is essentially hexagonally close-packed, with distortions to accommodate the hydrogen atoms. The structure is antiferroelectric with the alignment of the molecular dipoles along the a direction.
Articles in the same Issue
- The solid phases of deuterium sulphide by powder neutron diffraction
- Crystal and molecular structure of a manganese complex of trans-1,2-diaminocyclohexane-N,N,N′,N′-tetraacetic acid (CDTA): Mn4(CDTA)2(H2O)9(CH3COCH3)0.5 · Evidence for a Mn7(CDTA)4(H2O)8 unit
- X-ray and electron microscopic determination of Debye characteristic temperature, stacking fault energy and other microstructural parameters in zinc telluride films
- A simple formula for the morphological axial ratio and for indexing
- A neutron powder diffraction study of the β to γ phase transformation in NaFeO2
- Neutron diffraction study of Sr(BrO3)2 · H2O: Statistical tests of intensity variances, refinement including weak and negative intensities
- Crystal structure of N-(1-ethylcarbamoyl-tetrazol-5-yl)-O-(4-tolyl)-isourea
- Analysis of the distribution of impurities in crystals by anomalous X-ray scattering
- Crystal structure and spectra of Trichloro-p-chlorobenzoyl-2-furaldehydohydrazono bismuth(III)
- Polarity determination in (001)-oriented AIII – Bv compound semiconductors by the Kossel technique and chemical etching
- Crystal and molecular structure of 3-nitro-4-hydroxy-phenylalanine nitrate
- The crystal structure of lintisite, Na3LiTi2[Si2O6]2O2 · 2H2O, a new titanosilicate from Lovozero (USSR)
- Synthesis and X-ray structure of trimethyl[2,4,6-tri(1,1-dimethylethyl)benzene] 1,3,5-tricarboxylate
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Articles in the same Issue
- The solid phases of deuterium sulphide by powder neutron diffraction
- Crystal and molecular structure of a manganese complex of trans-1,2-diaminocyclohexane-N,N,N′,N′-tetraacetic acid (CDTA): Mn4(CDTA)2(H2O)9(CH3COCH3)0.5 · Evidence for a Mn7(CDTA)4(H2O)8 unit
- X-ray and electron microscopic determination of Debye characteristic temperature, stacking fault energy and other microstructural parameters in zinc telluride films
- A simple formula for the morphological axial ratio and for indexing
- A neutron powder diffraction study of the β to γ phase transformation in NaFeO2
- Neutron diffraction study of Sr(BrO3)2 · H2O: Statistical tests of intensity variances, refinement including weak and negative intensities
- Crystal structure of N-(1-ethylcarbamoyl-tetrazol-5-yl)-O-(4-tolyl)-isourea
- Analysis of the distribution of impurities in crystals by anomalous X-ray scattering
- Crystal structure and spectra of Trichloro-p-chlorobenzoyl-2-furaldehydohydrazono bismuth(III)
- Polarity determination in (001)-oriented AIII – Bv compound semiconductors by the Kossel technique and chemical etching
- Crystal and molecular structure of 3-nitro-4-hydroxy-phenylalanine nitrate
- The crystal structure of lintisite, Na3LiTi2[Si2O6]2O2 · 2H2O, a new titanosilicate from Lovozero (USSR)
- Synthesis and X-ray structure of trimethyl[2,4,6-tri(1,1-dimethylethyl)benzene] 1,3,5-tricarboxylate
- Crystal growth and structure determination of potassium zirconium phosphate K2Zr(PO4)2
