High-pressure behavior of bikitaite: An integrated theoretical and experimental approach

American Mineralogist

Volumn 87, Issue 10, 2002, Pages 1415-1425

  Ferro, Orazio ^a   Quartieri, Simona ^a   Vezzalini, Giovanna ^a   Fois, Ettore ^a   Gamba, Aldo ^a   Tabacchi, Gloria ^a  

^a Dipartimento di Scienze della Terra   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CELLS; CYTOLOGY; HYDROGEN BONDS; LITHIUM COMPOUNDS; MOLECULAR DYNAMICS; SILICATE MINERALS; X RAY POWDER DIFFRACTION; X RAYS; ZEOLITES;

AB INITIO MOLECULAR DYNAMICS; CAR-PARRINELLO SIMULATION; COMPUTATIONAL RESULTS; EXPERIMENTAL APPROACHES; HIGH-PRESSURE BEHAVIOR; IN-SITU SYNCHROTRONS; ONE-DIMENSIONAL CHAINS; STRUCTURAL MODIFICATIONS;

ONE DIMENSIONAL;

BIKITAITE; CRYSTAL STRUCTURE; HIGH PRESSURE; PHASE TRANSITION; X-RAY DIFFRACTION; ZEOLITE;

EID: 0036810841     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-2002-1018     Document Type: Article

References (53)

1. The thermal behaviour of heulandites: Structural study of the dehydration of Nadap heulandite
2. 6, a cesium-aluminosilicate with the bikitaite framework
3. High-pressure deformation mechanism in the zeolite scolecite: A combined computational-experimental study
4. Framework mechanics: Limits to the collapse of tetrahedral framework
5. Phase transformations in scolecite at high hydrostatic pressure
6. Density functional exchange energy approximation with correct asymptotic behaviour
7. Structural transformations in natrolite and edingtonite
8. Elasticity and constitution of the earth's interior
9. Thermal behaviour of natural zeolites
10. 2O, with ordered Al/Si distribution
11. Unified approach for molecular dynamics and density-functional theory
12. High-pressure structural behaviour of heulandite
13. Rigid Unit Modes in framework silicates
14. A correction for powder diffraction peak asymmetry due to axial divergence
15. Dipolar host/guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite
16. Water molecules in single file: First-principles studies of one-dimensional water chains in zeolites
17. On the collective properties of water molecules in one-dimensional zeolitic channels
18. High-pressure structural behaviour of fibrous zeolites: The case of scolecite
19. Phase changes and amorphization of zeolites at high pressures: The case of scolecite and mesolite
20. Raman spectra and lattice-dynamical calculations of natrolite
21. Phase transitions in analcime and wairakite at low-high temperatures and high pressure
22. Raman spectroscopy of phase transition and amorphyzation of wairakite at high pressure
23. Two-dimensional detector software: From real detector to idealised image or two-theta scan
24. Insights into zeolite behaviour from the Rigid Unit Mode model
25. How floppy modes give rise to adsorption sites in zeolites
26. Rigid-Unit modes and the quantitative determination of the flexibility possessed by zeolite frameworks
27. Zeolite molecular sieve 4A: Anomalous compressibility and volume discontinuity at high pressure
28. Polyhedral tilting: a common type of pure displacive phase transition and its relationship to analcite at high pressure
29. Compressibility of zeolite 4A is dependent on the molecular size of the hydrostatic pressure medium
30. IR spectroscopic study of the effect of high pressure on zeolites Y. A and sodalite
31. Efficaceus form for model pseudopotentials
32. Nobel lecture: Electronic structure of matter. Wave functions and density functionals
33. Self-consistent equations including exchange and correlation effects
34. NMR study of the motion of water molecules in the natural zeolite bikitaile
35. High pressure X-ray diffraction studies of UX3 (X = Al, Si, Ga, Ge, In, Sn)
36. First structural investigation of a super hydrated zeolite
37. Calibration of the ruby pressure gauge to 800 Kbar under quasi-hydrostatic conditions
38. Pressure-enhanced molecular self-diffusion in microporous solids
39. From silicon to RNA: The coming of age of ab initio molecular dynamics
40. Polymorphic transitions in single crystals: A new molecular dynamics method
41. Density-functional approximation to the correlation energy of the inhomogeneus electron gas
42. One-dimensional ice in bikitaite: Single-crystal X-ray diffraction, infrared spectroscopy and ab initio molecular dynamics studies
43. Framework structures
44. Pressure-induced disorder in hydrated Na-A zeolite
45. Real-time synchrotron powder diffraction studies of the dehydration processes in scolecite and mesolite
46. One-dimensional water chain in the zeolite bikitaite: Neutron diffraction study at 13 and 295K
47. 3
48. Efficient pseudopotentials for plane-wave calculations
49. Raman spectra of analcime under pressure
50. The structural modifications induced by high pressure in scolecite and heulandite: In-situ synchrotron X-ray powder diffraction study
51. Thermal behaviour and dehydration mechanism of bikitaite