Effect of Ti4+ on the structure of nepheline (NaAlSiO4) glass
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99 GENERAL AND MISCELLANEOUS↗
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Crystal structure of calcium-ferrite type NaAlSiO4 up to 45 GPa
Abstract Alkali-rich aluminous high-pressure phases including calcium-ferrite (CF) type NaAlSiO4 are thought to constitute ~20% by volume of subducted mid-ocean ridge basalt (MORB) under lower mantle conditions. As a potentially significant host for incompatible elements in the deep mantle, knowledge of the crystal structure and physical properties of CF-type phases is therefore important to understanding the crystal chemistry of alkali storage and recycling in the Earth’s mantle. We determined the evolution of the crystal structure of pure CF-NaAlSiO4 and Fe-bearing CF-NaAlSiO4 at pressures up to ~45 GPa using synchrotron-based, single-crystal X-ray diffraction. Using the high-pressure lattice parameters, we also determined a third-order Birch-Murnaghan equation of state, with V0 = 241.6(1) Å3, KT0 = 220(4) GPa, and KT0′ = 2.6(3) for Fe-free CF, and V0 = 244.2(2) Å3, KT0 = 211(6) GPa, and KT0′ = 2.6(3) for Fe-bearing CF. The addition of Fe into CF-NaAlSiO4 resulted in a 10 ± 5% decrease in the stiffest direction of linear compressibility along the c-axis, leading to stronger elastic anisotropy compared with the Fe-free CF phase. The NaO8 polyhedra volume is 2.6 times larger and about 60% more compressible than the octahedral (Al,Si)O6 sites, with K0NaO8 = 127 GPa and K0(Al,Si)O6 ~304 GPa. Raman spectra of the pure CF-type NaAlSiO4 sample shows that the pressure coefficient of the mean vibrational mode, 1.60(7) cm–1/GPa, is slightly higher than 1.36(6) cm−1/GPa obtained for the Fe-bearing CF-NaAlSiO4 sample. The ability of CF-type phases to contain incompatible elements such as Na beyond the stability field of jadeite requires larger and less-compressible NaO8 polyhedra. Detailed high-pressure crystallographic information for the CF phases provides knowledge on how large alkali metals are hosted in alumina framework structures with stability well into the lowermost mantle.
Geochemistry & Geophysics↗
Shock-induced transformations in the system NaAlSiO4-SiO2 - A new interpretation
New internally consistent interpretations of the phases represented by the high pressure phase shock wave data for an albite-rich rock, jadeite, and nepheline in the system NaAlSiO4-SiO2, are obtained using the results of static high pressure investigations, and the recent discovery of the hollandite phase in a shocked meteorite. We conclude that nepheline transforms directly to the calcium ferrite structure, whereas albite transforms possibly to the hollandite structure. Shock Hugoniots for the other plagioclase and alkali feldspars also indicate that these transform to hollandite structures. The pressure-volume data at high pressure could alternatively represent the compression of an amorphous phase. Moreover, the shock Hugoniot data are expected to reflect the properties of the melt above shock stresses of 60-80 GPa. The third order Birch-Murnaghan equation of state parameters are given for the calcium ferrite type NaAlSiO4 and for albite-rich, orthoclase-rich, and anorthite-rich hollandites.
Sekine, Toshimori↗
Materials Data on NaAlSiO4 by Materials Project
NaAlSiO4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.33 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.74 Å) and three longer (1.77 Å) Al–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si4+ atom.
36 MATERIALS SCIENCE↗
Structural variations across the nepheline (NaAlSiO4)?kalsilite (KAlSiO4) series
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Antao, Sytle M.↗
A Comparative Study on the Effect of Zr, Sn, and Ti on the Crystallization Behavior of Nepheline Glass
In alkali aluminosilicate glasses, additions of 4+ cations like Zr and Ti are often added to promote crystallization. In this study, Zr, Ti, or Sn are progressively substituted for Si in nepheline (NaAlSiO4) glass to determine their impact on the crystallization behavior. For glasses homogeneous on quenching, up to NaAlZr0.075Si0.925O4, NaAlSn0.100Si0.900O4, and NaAlTi0.300Si0.700O4, respectively, crystallization temperatures were investigated by thermal analysis. A subset of compositions was subjected to additional thermal analysis, varying heating rate and particle size, to investigate the subtleties of crystallization behavior. Subsequent heat treatment of glass powders was performed to maximize crystallization, and glass-ceramic microstructure was assessed by optical microscopy and electron microprobe, while crystalline phases were determined by X-ray diffraction. In all cases the major crystalline phase was orthorhombic carnegieite, which accommodated Ti in its structure but not Zr or Sn, and excess 4+ cations formed MO2, i.e., brookite, baddeleyite, and cassiterite, respectively.
Nienhuis-Marcial, Emily T.↗
Stoichiometric tuning of lattice flexibility and Na diffusion in NaAlSiO 4 : quasielastic neutron scattering experiment and ab initio molecular dynamics simulations
We have performed quasielastic neutron scattering (QENS) experiments up to 1243 K and ab initio molecular dynamics (AIMD) simulations to investigate the Na diffusion in various phases of NaAlSiO4 (NASO), namely, low-carnegieite (L-NASO; trigonal), high-carnegieite (H-NASO; cubic) and nepheline (N-NASO; hexagonal) phases. The QENS measurements reveal Na ions localized diffusion behavior in L-NASO and N-NASO, but long-range diffusion behavior in H-NASO. Furthermore, the AIMD simulation supplemented the QENS measurements and showed that excess Na ions in H-NASO enhance the host network flexibility and activate the AlO 4 /SiO 4 tetrahedra rotational modes. These framework modes enable the long-range diffusion of Na across a pathway of interstitial sites. The simulations also show Na diffusion in Na-deficient N-NASO through vacant Na sites along the hexagonal c-axis.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Effects of Al Substitution for Fe in Na₅FeSi₄O₁₂ (5.1.8) Glasses: Structure and Crystallization
In this study, the effects of substituting Al for Fe in 5Na2O∙(Al2O3)x∙(Fe2O3)1-x∙8SiO2 glass, x=0 to 1, and Na5AlxFe1-xSi4O12 (5.1.8) crystal, were investigated using thermal analysis, Fe K-edge X-ray absorption, X-ray diffraction, Raman spectroscopy, and Electron Probe Microanalysis. In both glass and crystallized glass, nearly all the Fe was tetrahedrally coordinated Fe3+, as expected from the high concentration of Na2O. The substitution of Al for Fe in the glasses caused the glass transition temperature to increase as polymerization increased, as evidenced by Raman, likely due to both field strength differences of Al vs Fe and a small amount of Fe2+ network modifier present with Fe. After heat treatment at 700 °C for 24 hours, the glasses had crystallized, forming Na2SiO3 and NaAlSiO4 in compositions with high Al concentrations and the 5.1.8 crystal in compositions with high Fe concentrations. Through electron microprobe, it was determined that <0.04 formula unit Al incorporated into the 5.1.8 crystal, i.e. Na5Fe0.96Al0.04Si4O12. The 5.1.8 crystal only formed when Fe concentration was higher than Al in the starting glass.
Antonio, Raine (ORCID:0009000634297975)↗
Fast Na/+/-ion transport in skeleton structures
The skeleton structures considered in the investigations consist of a rigid subarray with an interconnected interstitial space in which ions move in three dimensions. The classes of skeleton structures investigated include the Im3 phase of high-pressure KSbO3, the defect-pyrochlore structure illustrated by RbMgAlF6, and the carnegieite structure of high-temperature NaAlSiO4. A description is given of the results obtained in transport measurements involving dense polycrystalline ceramic disks. Results obtained in the case of the Na(+)-ion transport in Na3Zr2PSi2O12 appear particularly promising concerning the possible use of such substances in solid-electrolyte applications.
Goodenough, J. B.↗
Corrosion of cordierite ceramics by sodium sulphate at 1000 C
The corrosion of a sintered cordierite (2MgO-2Al2O3-5SiO2) ceramic by sodium sulphate (Na2SO4) was investigated at 1000 C. Laboratory tests with thin films of Na2SO4/O2 and Na2SO4/1 percent SO2-O2 were performed. In the Na2SO4/O2 case, the cordierite reacted to form NaAlSiO4. After several hours of corrosion, the Na2SO4 appeared to induce surface cracks in the cordierite. In the Na2SO4/1 percent SO2-O2 case, other dissolution reactions occurred. The material was also tested in a burner rig with No. 2 Diesel fuel and 2 ppm sodium. The corrosion process was similar to that observed in the Na2SO4/O2 furnace tests, with more severe attack occurring.
Bianco, Robert↗