The structure of high-Mg alkali-bearing aluminosilicate glasses investigated in situ at ambient and high pressure by multi-angle energy dispersive X-ray diffraction and infrared microspectroscopy
{"title":"The structure of high-Mg alkali-bearing aluminosilicate glasses investigated in situ at ambient and high pressure by multi-angle energy dispersive X-ray diffraction and infrared microspectroscopy","authors":"Veronica Stopponi , Federica Piccirilli , Rostislav Hrubiak , Valeria Misiti , Stefano Lupi , Vincenzo Stagno","doi":"10.1016/j.chemgeo.2025.122970","DOIUrl":null,"url":null,"abstract":"<div><div>The structural properties of synthetic high-Mg alkali-bearing aluminosilicate glasses analogues of natural picritic-to-komatiitic magmas were investigated in situ by multi-angle energy dispersive X-ray diffraction at ambient pressure and 2.1 GPa and by Fourier Transform infrared spectroscopy up to 5.4 GPa upon compression and decompression. Our results reveal that the intermediate range ordering of the glass structure at 2.1 GPa is 3.14 Å, increasing to 3.19 Å when decompressed to ambient pressure. The local structure at 2.1 GPa shows T-O lengths of 1.66 Å and T-T distances of 3.19 Å, resulting in a T-O-T angle of 147°. Upon decompression, T-O lengths shorten to 1.65 Å and T-T distances increase to 3.21 Å, widening the T-O-T angle to 154°. The deconvoluted infrared spectra result in the presence of <em>Q</em><sup><em>1</em></sup>, <em>Q</em><sup><em>2</em></sup>, <em>Q</em><sup><em>3</em></sup> populations in the aluminosilicate spectral region, whose proportions remain relatively unchanged up to 5.4 GPa. The structural response of the investigated glasses to cold compression does not involve changes in polymerization, but rather a shrinking and compaction of the structure as evidenced by the <em>Q</em><sup><em>n</em></sup> species shifting to higher wavenumbers as a function of pressure. The structural properties determined by X-ray diffraction for this glass composition are discussed along with those of glasses from previous studies to highlight a compositional dependence dictated by the amount of SiO<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub>.</div></div>","PeriodicalId":9847,"journal":{"name":"Chemical Geology","volume":"692 ","pages":"Article 122970"},"PeriodicalIF":3.6000,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Geology","FirstCategoryId":"89","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009254125003602","RegionNum":2,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"GEOCHEMISTRY & GEOPHYSICS","Score":null,"Total":0}
引用次数: 0
Abstract
The structural properties of synthetic high-Mg alkali-bearing aluminosilicate glasses analogues of natural picritic-to-komatiitic magmas were investigated in situ by multi-angle energy dispersive X-ray diffraction at ambient pressure and 2.1 GPa and by Fourier Transform infrared spectroscopy up to 5.4 GPa upon compression and decompression. Our results reveal that the intermediate range ordering of the glass structure at 2.1 GPa is 3.14 Å, increasing to 3.19 Å when decompressed to ambient pressure. The local structure at 2.1 GPa shows T-O lengths of 1.66 Å and T-T distances of 3.19 Å, resulting in a T-O-T angle of 147°. Upon decompression, T-O lengths shorten to 1.65 Å and T-T distances increase to 3.21 Å, widening the T-O-T angle to 154°. The deconvoluted infrared spectra result in the presence of Q1, Q2, Q3 populations in the aluminosilicate spectral region, whose proportions remain relatively unchanged up to 5.4 GPa. The structural response of the investigated glasses to cold compression does not involve changes in polymerization, but rather a shrinking and compaction of the structure as evidenced by the Qn species shifting to higher wavenumbers as a function of pressure. The structural properties determined by X-ray diffraction for this glass composition are discussed along with those of glasses from previous studies to highlight a compositional dependence dictated by the amount of SiO2 and Al2O3.
期刊介绍:
Chemical Geology is an international journal that publishes original research papers on isotopic and elemental geochemistry, geochronology and cosmochemistry.
The Journal focuses on chemical processes in igneous, metamorphic, and sedimentary petrology, low- and high-temperature aqueous solutions, biogeochemistry, the environment and cosmochemistry.
Papers that are field, experimentally, or computationally based are appropriate if they are of broad international interest. The Journal generally does not publish papers that are primarily of regional or local interest, or which are primarily focused on remediation and applied geochemistry.
The Journal also welcomes innovative papers dealing with significant analytical advances that are of wide interest in the community and extend significantly beyond the scope of what would be included in the methods section of a standard research paper.