Pentlandite sulfur core electron binding energies

Physics and Chemistry of Minerals

Volumn 33, Issue 7, 2006, Pages 445-456

  Goh, Siew Wei ^a   Buckley, Alan N ^a   Lamb, Robert N ^a   Fan, Liang Jen ^b   Jang, Ling Yun ^b   Yang, Yaw Wen ^b  

^a UNIVERSITY OF NEW SOUTH WALES   (Australia)

^b NATIONAL SYNCHROTRON RADIATION RESEARCH CENTER   (Taiwan)

Author keywords

Ab initio calculations; NEXAFS; Pentlandite; Stibnite; XPS

Indexed keywords

BINDING ENERGY; COORDINATION REACTIONS; GEOCHEMISTRY; MINERALOGY; SULFUR;

CORE ELECTRON BINDING ENERGIES; PENTLANDITE; STIBNITE; VIOLARITE;

SULFIDE MINERALS;

CHEMICAL BINDING; PENTLANDITE; STIBNITE; X-RAY SPECTROSCOPY;

EID: 33749454447     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-006-0095-9     Document Type: Article

References (33)

1. Ankudinov AL, Ravel B, Rehr JJ, Conradson SD (1998) Real-space multiple-scattering calculation and interpretation of X-ray-absorption near-edge structure. Phys Rev B 58:7565-7576
2. Ankudinov AL, Bouldin CE, Rehr JJ, Sims J, Hung H (2002) Parallel calculation of electron multiple scattering using Lanczos algorithms. Phys Rev B 65:104107-1-104107-11
3. Blaha P, Schwarz K, Sorantin P, Trickey SB (1990) Full-potential, linearized augmented plane wave programs for crystalline systems. Comput Phys Commun 59:399-415
4. Buckley AN, Woods R (1985) X-ray photoelectron spectroscopy of oxidized pyrrhotite surfaces. I. Exposure to air. Appl Surf Sci 22/23:280-287
5. Buckley AN, Woods R (1991a) Surface composition of pentlandite under flotation-related conditions. Surf Interface Anal 17:675-680
6. 2). J Appl Electrochem 21:575-582
7. Chassé T, Peisert H, Streubel P, Szargan R, Meisel A (1993) XPS binding energies of deep core levels and the Auger parameter - an application to solid sulfur compounds. Acta Phys Pol A 83:793-802
8. 8. Phys Rev B 66:155105-1-155105-5
9. Evans HT Jr, Konnert JA (1976) Crystal structure refinement of covellite. Am Mineral 61:996-1000
10. Fleet ME (1977) The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals. Am Mineral 62:341-345
11. Francis CA, Fleet ME, Misra K, Craig JR (1976) Orientation of exsolved pentlandite in natural and synthetic nickeliferous pyrrhotite. Am Mineral 61:913-920
12. Goh SW, Buckley AN, Lamb RN, Skinner WM, Pring A, Wang H, Fan L-J, Jang L-Y, Lai L-J, Yang Y-w (2006a) Sulfur electronic environments in α-NiS and β-NiS: Examination of the relationship between coordination number and core electron binding energies. Phys Chem Minerals 33:98-105
13. Goh SW, Buckley AN, Lamb RN, Rosenberg RA, Moran D (2006b) The oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to air. Geochim Cosmochim Acta 70:2210-2228
14. 3 crystals. Phase Transit 75:323-337
15. Knipe SW, Mycroft JR, Pratt AR, Nesbitt HW, Bancroft GM (1995) X-ray photoelectron spectroscopic study of water adsorption on iron sulphide minerals. Geochim Cosmochim Acta 59:1079-1090
16. Knop O, Huang C-H, Woodhams FWD (1970) Chalcogenides of the transition elements. VII. A Mössbauer study of pentlandite. Am Mineral 55:1115-1130
17. Krause MO, Oliver JH (1979) Natural widths of atomic K and L levels, Kα X-ray lines and several KLL Auger lines. J Phys Chem Ref Data 8:329-338
18. Kwok RWM (2000) XPSPEAK version 4.1; freeware
19. 2 inert pair electrons. Phys Chem Minerals 29:254-260
20. Laajalehto K, Kartio I, Kaurila T, Laiho T, Suoninen E (1996) Investigation of copper sulfide surfaces using synchrotron radiation excited photoemission spectroscopy. In: Mathieu HJ, Reihl B, Briggs D (eds) Proc ECASIA '95, Wiley, Chichester, pp 717-720
21. 8, by X-ray photoelectron spectroscopy. Int J Miner Process 51:217-228
22. Legrand DL, Bancroft GM, Nesbitt HW (2005) Oxidation/alteration of pentlandite and pyrrhotite surfaces at pH 9.3: Part 1. Am Mineral 90:1042-1054
23. Li D, Bancroft GM, Kasrai M, Fleet ME, Feng X, Tan K (1995) S K- and L-edge X-ray absorption spectroscopy of metal sulfides and sulfates: applications in mineralogy and geochemistry. Can Mineral 33:949-960
24. Misra KC, Fleet ME (1974) Chemical composition and stability of violarite. Econ Geol 69:391-403
25. Pearson AD, Buerger MJ (1956) Confirmation of the crystal structure of pentlandite. Am Mineral 41:804
26. Rajamani V, Prewitt CT (1973) Crystal chemistry of natural pentlandites. Can Mineral 12:178-187
27. Ravel B (2001) ATOMS: Crystallography for the X-ray absorption spectroscopist. J Synchrotron Radiat 8:314-316
28. Richardson S, Vaughan DJ (1989) Surface alteration of pentlandite and spectroscopic evidence for secondary violarite formation. Mineral Mag 53:213-222
29. Schaufuß AG, Nesbitt HW, Kartio I, Laajalehto K, Bancroft GM, Szargan R (1998) Incipient oxidation of fractured pyrite surfaces in air. J Electron Spectrosc 96:69-82
30. Schwarz K, Blaha P, Madsen GKH (2002) Electronic structure calculations of solids using the WIEN2k package for material sciences. Comput Phys Commun 147:71-76
31. Sodhi RNS, Cavell RG (1986) KLL Auger and core level (1s and 2p) photoelectron shifts in a series of gaseous sulfur compounds. J Electron Spectrosc 41:1-24
32. Vaughan DJ, Ridout MS (1971) Mössbauer studies of some sulphide minerals. J Inorg Nucl Chem 33:741-746
33. 3): Structural contributions and surface reconstruction. Surf Sci 600:348-356