Theoretical analysis of X-ray absorption near-edge structure in forsterite, Mg2SiO4-Pbnm, and fayalite, Fe2SiO4-Pbnm, at room temperature and extreme conditions

Physics and Chemistry of Minerals

Volumn 23, Issue 3, 1996, Pages 193-204

  Wu, Z ^a   Mottana, A ^b   Marcelli, A ^c   Natoli, C R ^c   Paris, E ^d  

^a CNRS   (France)

^b ROMA TRE UNIVERSITY   (Italy)

^c INFN LABORATORI NAZIONALI DI FRASCATI   (Italy)

^d UNIVERSITY OF CAMERINO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FAYALITE; FORSTERITE; X-RAY ABSORPTION SPECTROSCOPY; XANES;

EID: 0029730014     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00220730     Document Type: Article

References (47)

1. 4: calorimetric measurements, thermochemical calculation, and geophysical application. J Geophys Res 94. 15 671-15 685
2. Bargeron CB, Avinor M, Drickamer HA (1971) The effect of pressure on the spin state of iron (II) in manganese (IV) sulphide. Inorg Chem 10: 1338-1339
3. Bianconi A, Dell'Ariccia M, Gargano A, Natoli CR (1983) Bond length determination using XANES. In: EXAFS and Near Edge Structure, Springer Series in Chem Physics 27: 57-61, Springer-Verlag, New York
4. Bragg WL, Brown GB (1926) Die Struktur des Olivins. Z Kristallogr 63: 538
5. Calas G, Manceau A, Petiau J (1988) Crystal chemistry of transition elements in minerals through X-ray absorption spectroscopy. In: Synchrotron radiation applications in mineralogy and petrology (S.S. Augustithis, editor) 77-95, Thephrastus Publ., Athens
6. Clementi E, Roetti C (1974) Roothaan-Hartree-Fock atomic wave-functions: basis functions and their coefficients for ground and certain excited states of neutral and ionized atoms, Z≤54. Atom Data Nucl Data Tables 14: 177-478
7. Dietrich P, Arndt J (1982) Effects of pressure and temperature on the physical behavior of mantle-relevant olivine, orthopyroxene and garnet: I. Compressibility, thermal properties and macroscopic Grueneisen parameters. In: High-pressure researches in geoscience, pp. 293-306, Schweitzerbart, Stuttgart
8. Durham PJ (1988) X-ray absorption. In: Konigsberger DC, Prins R (eds.) Chemical Analysis 92: 72, J. Wiley, New York
9. Durham PJ, Pendry JB, Hodges CH (1982) Calculation of X-ray absorption near-edge structure. XANES, Comput Phys Commun 25: 193
10. 2 system at high pressure and high temperature. J Geophys Res 96: 2157-2169
11. Fujino K, Sasaki Y, Takéuchi Y, Sadanaga R (1981) X-ray determination of electron distributions in forsterite, fayalite and tephroite. Acta Cryst B 37: 513-518
12. 2+ on the composition of the lower mantle. J Geophys Res 78: 7005-7014
13. Gonschorek W (1986) Electron density and polarized absorption spectra of fayalite. Phys Chem Minerals 13: 337-339
14. 4. Phys Chem Minerals 16: 186-198
15. Hayashi M, Tamura I, Shimomura O, Sawamoto H, Kawamura H (1987) Antiferromagnetic transition of fayalite under high pressure studied by Mössbauer spectroscopy Phys Chem Minerals 14: 341-344
16. Hazen RM (1976) Effects of temperature and pressure on the crystal structure of forsterite. Am Mineral 61: 1280-1293
17. Hazen RM (1977) Effects of temperature and pressure on the crystal structure of ferromagnesian olivine. Am Mineral 62: 286-295
18. Hazen RM, Finger LW (1980) Crystal structure of forsterite at 40 kbar. Carnegie Inst Wash Year Book 79: 364-367
19. 4: single crystal X-ray diffraction study. Am Mineral 66: 568-575
20. 4: evidence for reduced coordination of ferrous iron in the liquid. Science 262: 229-233
21. 4 7). Phys Rev B 23: 2350-2356
22. Krause MO, Oliver JH (1979) Natural widths of atomic K and L levels, K-α X-ray lines and several KLL auger lines. J Phys Chem Ref Data 8: 329
23. 2 under high pressure, Physica 139, 140 B: 333-336
24. 4 under high pressure up to 149 kb. Z Kristallogr 171: 291-302
25. Lee PA, Beni G (1977) New method for the calculation of atomic phase shifts: Application to extended X-ray absorption fine structure (EXAFS) in molecules and crystals. Phys Rev B 15: 2862
26. Lee PA, Pendry JB (1975) Theory of the extended X-ray absorption fine structure. Phys Rev B 11: 2795
27. Mattheiss L (1964) Energy bands for the iron transition series. Phys Rev A 134: 970
28. Natoli CR, Benfatto M (1986) A unifying scheme of interpretation of X-ray absorption spectra based on the multiple scattering theory. J Phys 45, C 8: 11-23 (Paris)
29. Natoli CR, Misemer DK, Doniach S, Kutzler FW (1980) First-principies calculation of X-ray absorption-edge structure in molecular clusters. Phys Rev A 22: 1104
30. Natoli CR, Benfatto M, Brouder C, Ruiz Lopez MZ, Foulis DL (1990) Multichannel multiple-scattering theory with general potentials. Phys Rev B 42: 1944-1968
31. 2. Mol Phys 81: 1191
32. Penn DR (1987) Electron mean-free-path calculations using a model dielectric function. Phys Rev B 35: 482
33. Robinson K, Gibbs GV, Ribbe PH (1971) Quadratic elongation: a quantitative measure of distortion in coordination polyhedra. Science 172: 567-570
34. 66 monochromator. Synchro Rad News 6: 25-27
35. 4. J Phys Chem Solids 27: 655-666
36. 4. J Geophys Res 87: 7829-7832
37. Schaefer MW (1985) Site occupancy and two-phase character of "ferrifayalite". Am Mineral 70: 729-736
38. Seifert F, Paris E, Dingwell DB, Davoli I, Mottana A (1993) A high-temperature device for in situ measurement of x-ray absorption spectra. Condens Matt Mat Comm 1: 115-121
39. Sherman DM (1988) High-spin to low-spin transitions of iron (II) oxides and their possible effect on the physics and chemistry of lower mantle. Adv Phys Geochem 7: 113-128
40. Shimomura O, Kawamura T (1982) EXAFS and XANES study under pressure. In: High pressure research in mineral physics (Manghnani MH, Syono Y, eds), 187-193. Terra Sci Publ Co, Tokyo
41. Smyth JR (1975) High temperature crystal chemistry of fayalite. Am Mineral 60: 1092-1097
42. Smyth JR, Hazen RM (19773) The crystal structures of forsterite and hortonolite at several temperatures up to 900°C. Am Mineral 58: 588-593
43. 2+ in magnesium-rich olivines. Am Mineral 71: 127-135
44. Takéuchi Y, Yamanaka T, Haga N, Hirano M (1984) High temperature crystallography of olivines and spinels. In: Sunagawa I (ed.). Materials science of Earth's interior, 191-231. Terra Sci Publ Co, Tokyo
45. 2 molecules. Phys Rev B 46: 5997-6019
46. Waychunas GA, Brown GE, Apted MJ (1983) X-ray K-edge absorption spectra of Fe minerals and model compounds: near edge structure. Phys Chem Minerals 10: 1-9
47. 4-fayalite at ultrahigh pressures: amorphization and gap closure. J Geophys Res 95: 21 549-21 563