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Minerals
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Crystal Structure, Mineralogy, and Geochemistry of Scapolite
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Crystal Structure, Mineralogy, and Geochemistry of Scapolite

A special issue of Minerals (ISSN 2075-163X). This special issue belongs to the section "Crystallography and Physical Chemistry of Minerals & Nanominerals".

Deadline for manuscript submissions: closed (26 July 2024) | Viewed by 4857

Special Issue Editors

Dr. Milen Kadiyski

E-Mail Website
Guest Editor
Department of Civil Engineering, European Polytechnical University, Sv. Kiril i Metodiy Str. 23, 2300 Pernik, Bulgaria
Interests: mineralogy; crystallography; metallurgy; material science
Prof. Dr. Vladislav Kostov-Kytin

E-Mail Website
Guest Editor
Institute of Mineralogy and Crystallography, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Bl. 107, 1113 Sofia, Bulgaria
Interests: crystallography; mineralogy

Special Issue Information

Dear Colleagues,

Minerals of the scapolite group (“scapolites” below) are common rock-forming aluminosilicates that occur in a wide variety of metamorphic and altered igneous rocks. Their wide distribution in metamorphic terrains, as well as their high stability over a wide range of pressures and temperatures, make them potential geothermometers and geobarometers. The volatile components in scapolites indicate that they may play a natural role in the capture and storage of greenhouse gases.

Scapolites have well-pronounced crystal chemical complexity, and some questions in this field of study have not yet found an unequivocal answer. Among the most important questions in this regard are those related to the elucidation of possible isomorphic substitutions in scapolite solid solutions, the relationship between chemical composition and crystal structure characteristics (choice of space group, presence or absence of phase transitions, antiphase boundaries), and the classification of the members of this group.

This Special Issue aims to present new mineralogical, geochemical, and structural studies on scapolites, as well as to provide an arena for collaboration and knowledge exchange between authors working with this fascinating group of minerals. We encourage submissions that present fundamental and applied research extending the current understanding of scapolite mineralogy.

Dr. Milen Kadiyski
Prof. Dr. Vladislav Kostov-Kytin
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Minerals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • scapolite group
  • marialite–melonite series
  • Si-Al ordering
  • crystal structure
  • X-ray diffraction
  • Raman spectroscopy

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Published Papers (3 papers)

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Research

27 pages, 11927 KiB  
Article
Nature of Scapolite Color: Ab Initio Calculations, Spectroscopy, and Structural Study
by Roman Shendrik, Nikita V. Chukanov, Alexander Bogdanov, Alexandra Myasnikova, Elizaveta Pankrushina, Anatoly A. Zolotarev, Anastasiia Babkina, Ekaterina Popova, Marina F. Vigasina, Sergey M. Aksenov, Grigoriy Ilyin and Igor V. Pekov
Minerals 2024, 14(9), 937; https://doi.org/10.3390/min14090937 - 13 Sep 2024
Cited by 1 | Viewed by 1510
Abstract
The article describes the results of a comprehensive study of the extra-framework components of scapolites using quantum–chemical calculations, electronic and vibrational spectroscopy, and single-crystal X-ray diffraction and crystal structure refinement. The ab initio calculations were performed using an embedded-cluster approach of extra-framework components [...] Read more.
The article describes the results of a comprehensive study of the extra-framework components of scapolites using quantum–chemical calculations, electronic and vibrational spectroscopy, and single-crystal X-ray diffraction and crystal structure refinement. The ab initio calculations were performed using an embedded-cluster approach of extra-framework components in various cation surroundings. As a result, through comparing the experimental and ab initio calculation results, the energies of the electronic and vibrational transitions of various extra-framework components (CO3)2−, (CO3)·−, S3·−, S2·−—as well as the role of these components in the process of the lowering of the symmetry—were determined for scapolites belonging to the marialite–meionite solid–solution series. The nature of the various colors of the scapolites has also been established. Colors from purple to blue are a result of the presence of radiation-induced pairs of defects: carbonate radical anions (CO3)·− and F-centers. However, polysulfide S3·− radical anions are found in some violet scapolites. Full article
(This article belongs to the Special Issue Crystal Structure, Mineralogy, and Geochemistry of Scapolite)
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21 pages, 3727 KiB  
Article
Al-Si Order and Chemical Composition Model across Scapolite Solid Solutions with Evidence from Rietveld Structure Refinements
by Sytle M. Antao
Minerals 2024, 14(8), 812; https://doi.org/10.3390/min14080812 - 11 Aug 2024
Cited by 1 | Viewed by 1082
Abstract
Scapolite forms solid solutions between the end members marialite, Na4[Al3Si9O24]Cl = Me0, and meionite, Ca4[Al6Si6O24]CO3 = Me100. Al-Si order and chemical composition [...] Read more.
Scapolite forms solid solutions between the end members marialite, Na4[Al3Si9O24]Cl = Me0, and meionite, Ca4[Al6Si6O24]CO3 = Me100. Al-Si order and chemical composition models are proposed for the scapolite solid solutions. These models predict the chemical composition, Al-Si order, and average <T–O> distances between Me0–Me100. These models are based on the observed order of clusters and on two solid solutions that meet at Me75 coupled with predicted chemical compositions and <T–O> distances. The [Na4·Cl]3+ and [NaCa3·CO3]5+ clusters are ordered between Me0–Me75, whereas the clusters [NaCa3·CO3]5+ and [Ca4·CO3]6+ are disordered from Me75–Me100. To confirm the structural model, the crystal structure of 27 scapolite samples between Me6–Me93 has been obtained using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and Rietveld structure refinements. The structure was refined in space group P42/n for all the samples. The <T–O> distances indicate that the T1 (=Si), T2 (=Al), and T3 (=Si) sites are completely ordered at Me37.5, where the 1:1 ratio of [Na4·Cl]3+:[NaCa3·CO3]5+ clusters are ordered and gives rise to antiphase domain boundaries (APBs) based on Cl-CO3 order instead of Al-Si order. The presence of APBs based on Cl-CO3 order and cluster order indicate that neither space group P42/n nor I4/m are correct for the structure of scapolite, but the lower symmetry space group P42/n is a good approximation for modeling the average structure of scapolite. The complete Al-Si order at Me37.5 changes in a regular and predictable manner toward the end members: Me0, Me75, and Me100. The observed unit cell and several structural parameters show a discontinuity at Me75, where the series is divided into two. There is no structural evidence to support any phase transition in the scapolite series. The T1 site contains only Si from Me0–Me37.5; from Me37.5–Me100, Al atoms enter the T1 site and the <T1–O> distance increases linearly to Me100. Full article
(This article belongs to the Special Issue Crystal Structure, Mineralogy, and Geochemistry of Scapolite)
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25 pages, 6966 KiB  
Article
Further on the Choice of Space Group for Scapolite Group Members and Genetic Considerations about the Si-Al Ordering in Their Framework Construction
by Vladislav Kostov-Kytin, Milen Kadiyski and Rositsa Nikolova
Minerals 2024, 14(6), 556; https://doi.org/10.3390/min14060556 - 28 May 2024
Cited by 2 | Viewed by 1533
Abstract
This paper poses a major question regarding the choice of space group for scapolite mineral group members. An artificial boundary is typically drawn between space groups I4/m and P42/n when solving the structures of scapolites within the [...] Read more.
This paper poses a major question regarding the choice of space group for scapolite mineral group members. An artificial boundary is typically drawn between space groups I4/m and P42/n when solving the structures of scapolites within the marialite–meionite series. The authors debate if solving the crystal structure in lower symmetries is justified. The choice of space group here is attributed to Si-Al ordering of the framework, and it is shown that the interstitial framework cations and anions have an accompanying role in that decision. Some answers on the ranges and limits of distribution of space groups of scapolite members in the marialite–meionite series, and the manifestations of violation of the Lowenstein rule or the so-called aluminum avoidance rule are presented. Modern physical methods (SEM-EDS and SXDA) are employed in the study to properly analyze the solid solution series in detail. New crystal–chemical data are reported for scapolite samples from different localities. An analysis was made for the types of possible Al-O-Al bonds that can occur in the structures at different Al:Si ratios and their influence on Al-Si ordering. Finally, genetic considerations about Al-Si ordering in the framework construction during the mineral formation processes are proposed. Full article
(This article belongs to the Special Issue Crystal Structure, Mineralogy, and Geochemistry of Scapolite)
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