The crystal structure of CaFe3+SiAlO6 and the crystal chemistry of Fe3+—Al3+ substitution in calcium Tschermak's pyroxene View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1986-04

AUTHORS

Subrata Ghose, Fujio P. Okamura, Haruo Ohashi

ABSTRACT

The crystal structure of a synthetic CaFe3+Al-SiO6 pyroxene (20 kb, 1,375° C) with unit cell dimensions a=9.7797(16), b=8.7819(14), c=5.3685(5) Å, β=105.78(1)∘, space group C2/c has been refined by the method of least squares to an R-factor of 0.025 based on 812 reflections measured on an automatic single crystal diffractometer. The octahedral M1 site is occupied by 0.82 Fe3+ and 0.18 Al3+. Within the tetrahedral T site, Si4+ (0.50), Al3+ (0.41) and Fe3+ (0.09) ions are completely disordered, although submicroscopic domains with short-range order are very likely. The octahedral site preference energy of the Fe3+ ions with respect to Al3+ ions in CaFe3+AlSiO6 is about 10 kcal/mole, which is much higher than that found in Y3AlxFe5−2O12 garnets. Topologically the structure of CaFe3+AlSiO6 is intermediate between that of diopside and calcium Tschermak's pyroxene, CaAlAlSiO6. For CaM3+ AlSiO6 clinopyroxenes an increase in the size of the M1 octahedron is accompanied by an increase in the average M2-0, bridging T-0 and 03-03′ distances and kinking of the tetrahedral chain. More... »

PAGES

530-535

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00374434

DOI

http://dx.doi.org/10.1007/bf00374434

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https://app.dimensions.ai/details/publication/pub.1040208308


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