Structural relaxation and crystal field stabilization in Cr 3+-containing oxides and silicates

Physics and Chemistry of Minerals

Volumn 39, Issue 1, 2012, Pages 17-25

  Urusov, Vadim S ^a   Taran, Michail N ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b Mineralogy and Ore Formation of NAS of Ukraine   (Ukraine)

Author keywords

Crystal field stabilization energy; Mixing enthalpy; P and T effects; Relaxation of solid solution structure; Trivalent chromium

Indexed keywords

AVERAGE STRUCTURE; CR COMPOUNDS; CR CONTENT; CRYSTAL FIELDS; HIGH PRESSURE; INTER-ATOMIC DISTANCES; LATTICE STRAIN; LOCAL STRUCTURE; MANTLE XENOLITHS; MINERAL INCLUSIONS; MIXING ENTHALPY; NEAREST NEIGHBORS; POWER FUNCTIONS; RELAXATION OF SOLID SOLUTION STRUCTURE; STRUCTURE RELAXATION; TRIVALENT CHROMIUM;

CHROMIUM; CRYSTAL STRUCTURE; DIAMOND DEPOSITS; ELECTROMAGNETIC WAVE ABSORPTION; ENTHALPY; HIGH PRESSURE EFFECTS; MINERALS; SILICATES; STABILIZATION; X RAY DIFFRACTION;

SOLID SOLUTIONS;

CHROMIUM; CRYSTAL CHEMISTRY; CRYSTAL STRUCTURE; ENTHALPY; FLUID INCLUSION; MIXING; OXIDE GROUP; PRESSURE EFFECT; SILICATE MINERAL; SOLID SOLUTION; TEMPERATURE EFFECT; XENOLITH;

EID: 84855201558     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-011-0456-x     Document Type: Article

References (44)

1. Amthauer G (1996) Ligand field theory and inter- and intracrystalline cation distribution of transition elements in minerals and related inorganic compounds. Phys Chem Minerals 23: 276-283.
2. Andrut M, Wildner M (2002) The crystal chemistry of birefringent natural uvarovites. Part III. Application of the superposition model of crystal fields with a characterization of synthetic cubic uvarovite. Phys Chem Minerals 29: 595-608.
3. Andrut M, Wildner M, Rudowicz CZ (2004) Optical absorption spectroscopy in geosciences. Part II: quantitative aspects of crystal fields. EMU Notes Mineral 6(4): 145-188.
4. Burns RG (1970) Mineralogical application of crystal field theory. Cambridge University Press, Cambridge.
5. Burns RG (1975) Crystal field effects in chromium and its partitioning in the mantle. Geochim Cosmochim Acta 39: 857-864.
6. 3 crystalline solutions at high temperatures and pressures. Am Mineral 67: 725-735.
7. 3 perovskites from electron absorption spectra. J Phys Chem A113: 13772-13778.
8. 3 system. Russ Geol Geophys 38: 559-586 (in Russian).
9. Dymnikova NG, Gnievushev MA, Gubanov VA, Umanets VN, Petrov IP (1976) Influence of temperature on a behavior of chromium ions at synthesis of pyrope. Zap Vses Miner Obsch 105(4): 472-475 (in Russian).
10. Eremin NN, Talis RA, Urusov VS (2008) The computer modeling of the local structure, mixing properties and stability of binary oxide solid solutions with corundum structure. Crystallogr Reports 53(5): 755-763.
11. Ganguly J, Saxena SK (1987) Mixtures and mineral reactions. Springer, Berlin.
12. Gaudry E, Sainctavit Ph, Juillot F, Bondioli F, Ohresser PH, Letard I (2006) From the green color of eskolaite to the red color of ruby: an X-ray absorption spectroscopy study. Phys Chem Minerals 32: 710-720.
13. Geiger CA, Rossman GR (1994) Crystal field stabilization energies of almandine-pyrope and almandine-spessartine garnets determined by FTIR near infrared measurements. Phys Chem Minerals 21: 516-525.
14. Gurney JJ, Switzer GS (1973) The discovery of garnets closely related to diamonds in the Finsch Pipe, South Africa. Contrib Mineral Petrol 39: 103-116.
15. Gurney JJ, Helmstaedt H, Moore RO (1993) A review of the use and application of mantle mineral geochemistry in diamond exploration. Pure Appl Chem 65: 2423-2442.
16. Hall AJ, McConville P, Boyce AJ, Fallick AE (1994) A high-chromium corundum (ruby) inclusion in diamond from the São Luiz alluvial mine, Btazil. Miner Mag 58: 490-493.
17. 12 at high pressure and its implication to the occurrence of Cr-rich pyrope in the upper mantle. Phys Earth Planet Inter 27: 263-272.
18. 4. Phys Rev B76: 054105.
19. 3. Am Mineral 95: 59-63.
20. Khomenko VM, Platonov AN (1987) Rock-forming pyroxene: optical spectra, color and pleochroism. Naukova dumka, Kiev (in Russian).
21. Langer K (1988) UV to NIR spectra of silicate minerals obtained by microscope spectrometry and their use in mineral thermodynamics and kinetics. In: Salje EKH (ed) Physical properties and thermodynamic behaviour of minerals. Reidel Publishing Company, Boston, pp 639-685.
22. 6, in the crystal structure of oxygen based solid solutions: local versus crystal averaging methods. Z Kristallogr 216: 87-91.
23. 3+ rule its intercrystalline partitioning behavior? In: Dyar MD, McCammon C, Schaefer MW (eds) Mineral spectroscopy: a tribute to Roger G Burns. The Geochemical Society Spec Pub, pp 29-40.
24. 3+-centered octahedra in a variety of oxygen-based rock-forming minerals. Phys Chem Minerals 24: 109-114.
25. 3+-centered octahedra of natural grossular-uvarovite garnet solid solutions from electronic absorption spectra. Phys Chem Minerals 31: 650-657.
26. 4]. Eur J Mineral 18: 337-344.
27. 3 and ruby. J Chem Phys 38: 2289-2794.
28. Moreno M, Barriuso MT, Aramburu JA, García-Fernández P, García-Lastra JM (2006) Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure. J Phys Condens Matter 18: R315-R360.
29. Novak GA, Gibbs GV (1971) The crystal chemistry of the silicate garnets. Am Mineral 56: 791-825.
30. Poole CP (1964) The optical spectra and color of chromium containing solids. J Chem Phys Solids 25: 1169-1182.
31. Schmetzer K, Ottemann J (1979) Kristallchemie und Farbe Vanadium-haltiger Granate. N Jb Mineral Abh 136: 146-168.
32. Sobolev VS (1974) Inclusions in deep-seated kimberlites and the problem of the composition of the upper Mantle. Nauka, Novosibirsk (in Russian).
33. Stachel T, Harris JW (1997a) Syngenetic inclusions in diamond from the Birim field (Ghana)-a deep peridotitic profile with a history of depletion and re-enrichment. Contrib Mineral Petrol 127: 336-352.
34. Stachel T, Harris JW (1997b) Diamond precipitation and mantle metasomatism-evidence from the trace element chemistry of silicate inclusions in diamonds from Akwatia, Ghana. Contrib Mineral Petrol 129: 143-154.
35. 3+ ion-bearing minerals in the temperature range 77-797 K. Phys Chem Minerals 21: 360-372.
36. Taran MN, Tarashchan AN, Rager H, Schott St, Schürmann K, Iwanuch W (2003) Optical spectroscopy study of variously colored gem-quality topazes from Ouro Preto, Minas Gerais, Brazil. Phys Chem Minerals 30: 546-555.
37. 12, from electronic absorption spectra. Phys Chem Minerals 31: 650-657.
38. 3+-bearing clinopyroxenes. Phys Chem Minerals 38: 345-356.
39. Urusov VS (1975) Energetic crystal chemistry. Nauka, Moscow (in Russian).
40. Urusov VS (1992) A geometric model of deviations from Vegard's rule. J Solid State Chem 98: 223-236.
41. Urusov VS (2001) The phenomenological theory of solid solutions. EMU Notes Mineral 4(6): 121-153.
42. Wood BJ, Kleppa OJ (1984) Chromium-aluminium mixing in garnet: a thermochemical study. Geochim Cosmochim Acta 48: 1373-1375.
43. Wood BJ, Strens RGJ (1972) Calculation of crystal field splitting in distorted coordination polyhedra: spectra and thermodynamic properties of minerals. Min Magazine 38: 909-917.
44. Zhang L, Ahsbahs H, Kutoglu A (1998) Hydrostatic compression and crystal structure of pyrope to 33 GPa. Phys Chem Minerals 25: 301-307.