Minerals from Macedonia. XXX. Complementary use of vibrational spectroscopy and X-ray powder diffraction for spectra-structural study of some cyclo-, phyllo- and tectosilicate minerals. A review

Abstract

A review of the results of the complementary use of vibrational spectroscopy (infrared and Raman) and X-ray powder diffraction in the process of identification and spectra-structure correlation of some cyclo-, phyllo-and tectosilicate minerals originating from the Republic of Macedonia is presented. The following minerals are studied: schorl, Na(Fe 2+ ,Mg)3Al6(BO3)3Si6O18(OH)4; beryl, (Be,Mg)3Al2Si6O18; chrysotile, Mg3Si2O5(OH)4; antigorite, (Mg,Fe 2+ )3Si2O5(OH)4; talc, (Mg,Fe 2+ )3Si4O10(OH)2; clinochlore, (Mg,Fe 2+ )5Si3(Al,Cr)2O10(OH)8; cymrite, BaAl2Si2O8H2O; montmorillonite, (K,Ca)0.3(Al,Mg)2Si4O10(OH)2nH2O; muscovite, KAl2(Si3Al)O10(OH,F)2; phlogopite, KMg3(Si3Al)O10(OH,F)2; biotite, K(Mg,Fe 2+ )3AlSi3O10(OH,F)2; sheridanite, (Mg,Al)6(Si,Al)4O10(OH)8; albite, NaAlSi3O8; microcline, KAlSi3O8; sanidine, (K,Na)(Si,Al)4O8 and stilbite, Na3Ca3Al8Si28O7230H2O. Keywords: vibrational spectroscopy; infrared; Raman; X-ray powder diffraction; identification; cyclosilicate; phyllosilicate; tectosilicate; minerals МИНЕРАЛИ ОД МАКЕДОНИЈА. XXX. КОМПЛЕМЕНТАРНО КОРИСТЕЊЕ НА ВИБРАЦИОНАТА СПЕКТРОСКОПИЈА И НА РЕНДГЕНСКАТА ДИФРАКЦИЈА ОД ПРАШОК ПРИ СПЕКТАР-СТРУКТУРНИ ИСТРАЖУВАЊА НА НЕКОИ ЦИКЛО-, ФИЛО-И ТЕКТОСИЛИКАТНИ МИНЕРАЛИ. ПРЕГЛЕДНА СТУДИЈА Даден е преглед на резултатите од комплементарното користење на вибрационата спектроскопија (инфрацрвена и раманска) и на рендгенската дифракција од прашок при идентификација и спектар-структурни корелации на некои цикло-, фило-и тектосиликатни минерали по потекло од Република Македонија. Изучувани се следните минерали: шерл, Na(Fe 2+ ,Mg)3Al6(BO3)3Si6O18(OH)4; берил, (Be,Mg)3Al2Si6O18; хризотил, Mg3Si2O5(OH)4; антигорит, (Mg,Fe 2+ )3Si2O5(OH)4; талк, (Mg,Fe 2+ )3Si4O10(OH)2; клинохлор, (Mg,Fe 2+ )5Si3(Al,Cr)2O10(OH)8; цимрит, BaAl2Si2O8H2O; монтморилонит, (K,Ca)0.3(Al,Mg)2Si4O10(OH)2nH2O; мусковит, KAl2(Si3Al)O10(OH,F)2; флогопит, KMg3(Si3Al)O10(OH,F)2; биотит, K(Mg,Fe 2+ )3AlSi3O10(OH,F)2; шериданит, (Mg,Al)6(Si,Al)4O10(OH)8; албит, NaAlSi3O8; микроклин, KAlSi3O8; санидин, (K,Na)(Si,Al)4O8 и стилбит, Na3Ca3Al8Si28O7230H2O. Клучни зборови: вибрациона спектроскопија; инфрацрвена; раманска; рендгенска дифракција од прашок; идентификација; циклосиликати; филосиликати; тектосиликати; минерали G. Jovanovski, P. Makreski Maced. J. Chem. Chem. Eng. 35 (2), 125-155 (2016)

Structural Study of Nano-Clay and Its Effectiveness in Radiation Protection against X-rays

“…From XRD analysis, it was confirmed that all clay samples had different compositions of mineral phases, including quartz, feldspar, phengite-3T, montmorillonite, vermiculite, muscovite, kaolinite, sanidine, phengite, and nacrite. This corroborated with the FTIR analysis (Figure 5) by comparing the observed wavenumbers with the available data in the literature [63,[69][70][71].…”

Phase Transformations in Fly Ash-Based Solids

“…The deconvolution of the spectral region of 1250-900 cm −1 (Figure 6) revealed seven bands belonging to quartz, albite, orthoclase and muscovite that can be divided into two parts. The first of these (1200-1050 cm −1 ) is related to Si-O and Si-O-Si bonds, and the second (1050-900 cm −1 ) arises mainly from the second type of bridging (i.e., Si-O-Al stretching) [28]. The bands at 1165 and 1090 cm −1 in albite and 1090 and 1060 cm −1 in quartz belong to the Si-O-Si stretching vibrations, whereas 1125 cm −1 can be attributed to Si-O stretching vibrations in orthoclase [29].…”

“…1125 cm −1 can be attributed to Si-O stretching vibrations in orthoclase [29]. The band at 1030 cm −1 belongs to Si-O bonds in quartz as well as to Si-O-Al in albite [28] and the Si(Al)-O stretching vibration in orthoclase [29]. Albite (NaAlSi3O8) and orthoclase (KAlSi3O8) are the extreme members of the plagioclase minerals, forming sodium and potassium feldspars, respectively.…”

First-principles modeling of the infrared spectrum of antigorite

“…Note that identical results can be obtained by averaging the imaginary part of the particle polarizability tensor, which corresponds to the high-dilution limit of the effective medium absorption in the Maxwell-Garnett approach (Eqs. 19 and 24 of Kendrick and Burnett, 2016; https://github.com/JohnKendrick/PDielec, last access: 15 July 2021). Ghaderi et al (2015) with the same xc-functional.…”

“…Independent constraints for the interpretation of the vibrational spectra of minerals can be gained from a theoretical approach. Previous modeling studies (e.g., Balan et al, 2001Balan et al, , 2002Kendrick and Burnett, 2016) have shown that it is possible to compute the powder IR spectra of minerals from firstprinciples quantum mechanical calculations with enough accuracy to provide useful constraints for the interpretation of experimental spectra. In the present study, we apply this welltested approach to the pristine antigorite m = 17 polysome whose structure has been previously investigated experimentally (Capitani and Mellini, 2004) and theoretically (Capitani et al, 2009).…”