XAFS characterization of the structural site of Yb in synthetic pyrope and grossular garnets. II: XANES full multiple scattering calculations at the Yb L(I) - and L(III)-edges

Physics and Chemistry of Minerals

Volumn 27, Issue 2, 1999, Pages 88-94

  Quartieri, S ^a   Chaboy, J ^b   Antonioli, G ^c   Geiger, C A ^d  

^a Istituto di Scienze della Terra   (Italy)

^b Instituto de Nanociencia y Materiales de Aragón   (Spain)

^c INFM   (Italy)

^d UNIVERSITY OF KIEL   (Germany)

Author keywords

Full multiple scattering calculation; Garnet; XANES; Ytterbium

Indexed keywords

CRYSTAL STRUCTURE; GARNET; LOWER CRUST; RARE EARTH ELEMENT; X-RAY ANALYSIS; YTTERBIUM;

EID: 0033500944     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002690050244     Document Type: Article

References (20)

1. Cabaret D, Sainctavit Ph, Ildefonse Ph, Flank A-M (1998) Full multiple scattering calculations of the X-ray absorption near edge structure at the magnesium K-edge in pyroxene. Am Mineral 83:300-304
2. Chaboy J, Quartieri S (1995) X-ray absorption at the Ca K-edge in natural garnets solid solutions: a full multiple-scattering investigation. Phys Rev B52:6349-6357
3. 4,5-edge transitions. Phys Rev B49:5869-5875
4. Chaboy J, Marcelli A, Tyson TA (1994) Influence of double-electron transitions on the EXAFS L-edges of rare-earth systems. Phys Rev B49:11652-11661
5. 4,5-edge transitions of rareearths and nonradioactive elements of the sixth row. Prensas Universitarias, Zaragoza, pp 1-145
6. 2. Phys Rev 652:10014-10020
7. Clementi E, Roetti C (1974) Roothaan-Hartree-Fock atomic wave-functions. Atomic Data and Nuclear Data Tables 14:177-478
8. Euler F, Bruce JA (1965) Oxygen coordinates of compounds with garnet structure. Acta Crystallogr 19:971-978
9. Fert PA (1962) Structure de quelques oxydes de terres rares. Bull Soc Fr Miner Cristallogr LXXXV:267-270
10. Hedin L, Lundqvist BI (1971) Explicit local exchange-correlation potentials. J Phys C4:2064-2083
11. Lee PA, Pendry JB (1975) Theory of extended-X-ray absorption fine structure. Phys Rev B11:2795-2811
12. Mottana A, Murata T, Wu ZY, Marcelli A, Paris E (1997) The local structure of Ca-Na pyroxenes. I. XANES study at the Na K-edge. Pys Chem Minerals 24:500-509
13. Natoli CR, Benfatto M (1986) A unifying scheme of interpretation of x-ray absorption spectra based on the multiple scattering theory. J Phys (Paris) Colloq 47 C8:11-23
14. 2. Mol Phys 81:1191-1198
15. Paris E, Wu Z, Mottana A, Marcelli A (1995) Calcium environment in omphacitic pyroxenes: XANES experimental data versus one electron multiple scattering calculations. Eur J Mineral 7:1065-1070
16. Quartieri S, Chaboy J, Merli M, Oberti R, Ungaretti L (1995) Local structural environment of calcium in garnets: a combined structure-refinement and XANES investigation. Phys Chem Minerals 22:159-169
17. Quartieri S, Antonioli G, Geiger CA, Artioli G, Lottici PP (1999) XAFS characterization of the structural site of Yb in synthetic pyrope and grossular garnets. Phys Chem Minerals 26:251-256
18. Slater JC, Johnson KH (1972) Self-consistent-Field Xa cluster method for polyatomic molecules and solids. Phys Rev B5:844-853
19. 2 molecules. Phys Rev B 46:5997-6019
20. Waychunas GA, Brown GE Jr (1984) Application of EXAFS and XANES spectroscopy to problems in mineralogy and geochemistry. In: Hodgson KO, Hedman B, Penner-Hahn JE (eds) EXAFS and Near Edge Structure III. Springer, Berlin, pp 336-342