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Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F
-
Frank Gfeller
,
Thomas Armbruster
Published/Copyright:
March 7, 2015
Abstract
Three samples of the skarn mineral rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2, space group C2/c, a ≈7.6, b ≈ 18.5, c ≈ 15.5 Å, β ≈ 104°, with variable OH, Cl, F content were investigated by electron microprobe, single-crystal X-ray structure refinements, and Raman spectroscopy. “Rust1_LCl” is a low chlorine rustumite Ca10(Si2O7)2(SiO4)(OH1.88F0.12)(Cl1.28,OH0.72) from skarns associated with the Rize batholith near Ikizedere, Turkey. “Rust2_F” is a F-bearing rustumite Ca10(Si2O7)2(SiO4)(OH1.13F0.87) (Cl1.96OH0.04) from xenoliths in ignimbrites of the Upper Chegem Caldera, Northern Caucasus, Russia. “Rust3_LCl_F” represents a low-Cl, F-bearing rustumite Ca10(Si2O7)2[(SiO4)0.87(H4O4)0.13](OH1.01F0.99) (Cl1.00 OH1.00) from altered merwinite skarns of the Birkhin massif, Baikal Lake area, Eastern Siberia, Russia. Rustumite from Birkhin massif is characterized by a significant hydrogarnet-like or fluorine substitution at the apices of the orthosilicate group, leading to specific atomic displacements. The crystal structures including hydrogen positions have been refined from single-crystal X-ray data to R1 = 0.0205 (Rust1_LCl), R1 = 0.0295 (Rust2_F), and R1 = 0.0243 (Rust3_LCl_F), respectively. Depletion in Cl and replacement by OH is associated with smaller unit-cell dimensions. The substitution of OH by F leads to shorter hydrogen bonds O-H···F instead of O-H···OH. Raman spectra for all samples have been measured and confirm slight strengthening of the hydrogen bonds with uptake of F.
This study discusses the complex crystal chemistry of the skarn mineral rustumite and may provide a wider understanding of the chemical reactions related to contact metamorphism of limestones
Keywords : Rustumite; crystal chemistry; skarn mineralogy; crystal structure; OH-; F-; Cl- substitution; Raman spectroscopy; hydrogen bonds
Received: 2012-6-5
Accepted: 2012-9-26
Published Online: 2015-3-7
Published in Print: 2013-2-1
© 2015 by Walter de Gruyter Berlin/Boston
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Keywords for this article
Rustumite;
crystal chemistry;
skarn mineralogy;
crystal structure;
OH-;
F-;
Cl- substitution;
Raman spectroscopy;
hydrogen bonds
Articles in the same Issue
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