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Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019

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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 (30 June 2020) | Viewed by 32922

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Prof. Dr. Huifang Xu

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Department of Geoscience, University of Wisconsin - Madison, 1215 West Dayton Street, Madison, WI 53706, USA
Interests: mineralogy; nano-minerals; origin of dolomite; carbon and carbonate cycles; interface geochemistry; XRD; electron microscopy; X-ray and neutron total scattering of minerals
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Dear Colleagues,

This Special Issue, “Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019”, aims to report on recent advances in crystallography, mineralogy, and the physical chemistry of minerals.

Topics include (but are not limited to) new minerals, methods for solving mineral structures and microstructures, behaviors of impurity and trace metals in minerals, modulated structures and aperiodic structures, nano-minerals and their properties, semiconductor and piezoelectric minerals in the earth systems, mineral catalysis in the Earth’s environment, mineral nucleation and crystallization processes, mineral–water interface and mineral–microbe interactions, minerals in carbon cycles, and mineral–organic composites.

The Special Issue will contain by-invitation-only articles from prominent researchers in the field.

Prof. Dr. Huifang Xu
Guest Editor

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Crystallography
Mineralogy
Physical chemistry of minerals

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Published Papers (7 papers)

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12 pages, 6060 KiB

Open AccessArticle

Archaeological Ceramic Diagenesis: Clay Mineral Recrystallization in Sherds from a Late Byzantine Kiln, Israel

by Steve Weiner, Alla Nagorsky, Yishai (Isai) Feldman and Anna Kossoy

Minerals 2020, 10(5), 408; https://doi.org/10.3390/min10050408 - 30 Apr 2020

Cited by 6 | Viewed by 3406

Abstract

The pseudo-amorphous clay components of some of the pottery sherds that formed a surface in the firing chamber of a Late Byzantine kiln were shown by Fourier Transform Infrared Spectroscopy to have undergone almost complete recrystallization. Powder X-ray diffraction showed that the crystalline montmorillonite component of these sherds increased and kaolinite formed de novo. As this recrystallization process only occurred in the center of the firing chamber, we infer that the recrystallization process was due to repeated exposure of the sherds to high temperatures. The zeolite gonnardite was identified by X-ray diffraction. The chemical compositions of sodium-rich minerals, determined by energy dispersive X-ray spectroscopy (EDS), are consistent with the presence of gonnardite and analcime, and showed that the sodium was partially substituted by calcium and other cations. As these zeolites were also present in sherds from the upper pottery chamber, they did not form only as a result of repeated exposure to high temperatures. The demonstration that the clay mineral component of ceramics can undergo diagenetic recrystallization supports the possibility that provenience studies based on elemental analyses, especially of cooking pots that are repeatedly exposed to high temperatures, may be affected by recrystallization. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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9 pages, 2302 KiB

Open AccessFeature PaperArticle

Nano-Phase KNa(Si₆Al₂)O₁₆ in Adularia: A New Member in the Alkali Feldspar Series with Ordered K–Na Distribution

by Huifang Xu, Shiyun Jin, Seungyeol Lee and Franklin W. C. Hobbs

Minerals 2019, 9(11), 649; https://doi.org/10.3390/min9110649 - 23 Oct 2019

Cited by 7 | Viewed by 3684

Abstract

Alkali feldspars with diffuse reflections that violate C-centering symmetry were reported in Na-bearing adularia, orthoclase and microcline. TEM results indicate elongated nano-precipitates with intermediate composition of KNa(Si₆Al₂)O₁₆ cause the diffuse reflections. Density functional theory (DFT) calculation indicates ordered distribution of K and Na atoms in the nano-phase with Pa symmetry. K and Na atoms are slightly off special positions for K atoms in the orthoclase structure. Formation of the intermediate nano-phase may lower the interface energy between the nano-phase and the host orthoclase. Previously reported P2₁/a symmetry was resulted from an artifact of overlapped diffraction spots from the nano-precipitates (Pa) and host orthoclase (C2/m). Adularia, orthoclase and microcline with the Pa nano-precipitates indicate very slow cooling of their host rocks at low temperature. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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19 pages, 5998 KiB

Open AccessFeature PaperArticle

Patynite, NaKCa₄[Si₉O₂₃], a New Mineral from the Patynskiy Massif, Southern Siberia, Russia

by Anatoly V. Kasatkin, Fernando Cámara, Nikita V. Chukanov, Radek Škoda, Fabrizio Nestola, Atali A. Agakhanov, Dmitriy I. Belakovskiy and Vladimir S. Lednyov

Minerals 2019, 9(10), 611; https://doi.org/10.3390/min9100611 - 5 Oct 2019

Cited by 5 | Viewed by 3459

Abstract

The new mineral patynite was discovered at the massif of Patyn Mt. (Patynskiy massif), Tashtagolskiy District, Kemerovo (Kemerovskaya) Oblast’, Southern Siberia, Russia. Patynite forms lamellae up to 1 × 0.5 cm and is closely intergrown with charoite, tokkoite, diopside, and graphite. Other associated minerals include monticellite, wollastonite, pectolite, calcite, and orthoclase. Patynite is colorless in individual lamellae to white and white-brownish in aggregates. It has vitreous to silky luster, white streaks, brittle tenacity, and stepped fractures. Its density measured by flotation in Clerici solution is 2.70(2) g/cm³; density calculated from the empirical formula is 2.793 g/cm³. The Mohs’ hardness is 6. Optically, patynite is biaxial (−) with α = 1.568(2), β = 1.580(2), and γ = 1.582(2) (589 nm). The 2V (measured) = 40(10)° and 2V (calculated) = 44.1°. The Raman and IR spectra shows the absence in the mineral of H₂O, OH⁻, and CO₃²⁻ groups and B–O bonds. The chemical composition is (electron microprobe, wt.%): Na₂O 3.68, K₂O 5.62, CaO 26.82, SiO₂ 64.27, total 100.39. The empirical formula based on 23 O apfu is Na_1.00K_1.00Ca_4.02Si_8.99O₂₃. Patynite is triclinic, space group P1. The unit-cell parameters are: a = 7.27430(10), b = 10.5516(2), c = 13.9851(3) Å, α = 104.203(2)°, β = 104.302(2)°, γ = 92.0280(10)°, V = 1003.07(3) Å³, Z = 2. The crystal structure was solved by direct methods and refined to R₁ = 0.032. Patynite is an inosilicate with a new type of sextuple branched tubular chain [(Si₉O₂₃)¹⁰⁻]_∞ with an internal channel and [(Si₁₈O₄₆)²⁰⁻] as the repeat unit. The strongest lines of the powder X-ray diffraction pattern [d_obs, Å (I, %) (hkl)] are: 3.454 (100) (2-1-1), 3.262 (66) (2-1-2), 3.103 (64) (02-4), 2.801 (21), 1.820 (28) (40-2). Type material is deposited in the collections of the Fersman Mineralogical Museum of the Russian Academy of Sciences, Moscow, Russia with the registration number 5369/1. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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21 pages, 4918 KiB

Open AccessArticle

Crystal Chemistry of Birefringent Uvarovite Solid Solutions

by Sytle M. Antao and Jeffrey J. Salvador

Minerals 2019, 9(7), 395; https://doi.org/10.3390/min9070395 - 28 Jun 2019

Cited by 8 | Viewed by 4409

Abstract

The crystal chemistry of five optically anisotropic uvarovite samples from different localities (California, Finland, Russia, and Switzerland) were studied with electron-probe microanalysis (EPMA) and the Rietveld method. Monochromatic synchrotron high-resolution powder X-ray diffraction (HRPXRD) data were used, and Rietveld refinement was carried out [...] Read more.

I a \bar{3} d

. The general formula for garnet is ^[8]X₃^[6]Y₂^[4]Z₃^[4]O₁₂. Uvarovite has the ideal formula, Ca₃Cr₂Si₃O₁₂, which may be written as Ca₃{Cr,Al,Fe}_Σ2[Si₃O₁₂] because of solid solutions. HRPXRD traces show multiple cubic garnet phases in each sample that has a heterogeneous chemical composition. The optical and back-scattered electron (BSE) images and elemental maps contain lamellar and concentric zoning as well as patchy intergrowths. With increasing a unit-cell parameter for uvarovite solid solutions, the Z–O distance remains constant, and the average <X–O> distance increases slightly in response to the Cr³⁺ ⇔ Al³⁺ cation substitution in the Y site. The Y–O distance increases most because Cr³⁺ (radius = 0.615 Å) is larger than Al³⁺ (radius = 0.545 Å) cations. The Fe³⁺ (radius = 0.645 Å) cation is also involved in this substitution. Structural mismatch between the cubic garnet phases in the samples gives rise to strain-induced optical anisotropy. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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16 pages, 1436 KiB

Open AccessFeature PaperArticle

Structural Trends and Solid-Solutions Based on the Crystal Chemistry of Two Hausmannite (Mn₃O₄) Samples from the Kalahari Manganese Field

by Sytle M. Antao, Laura A. Cruickshank and Kaveer S. Hazrah

Minerals 2019, 9(6), 343; https://doi.org/10.3390/min9060343 - 5 Jun 2019

Cited by 17 | Viewed by 5031

Abstract

The crystal chemistry of two hausmannite samples from the Kalahari manganese field (KMF), South Africa, was studied using electron-probe microanalysis (EPMA), single-crystal X-ray diffraction (SCXRD) for sample-a, and high-resolution powder X-ray diffraction (HRPXRD) for sample-b, and a synthetic Mn₃O₄ (97% purity) sample-c as a reference point. Hausmannite samples from the KMF were reported to be either magnetic or non-magnetic with a general formula AB₂O₄. The EPMA composition for sample-a is [Mn²⁺_0.88Mg²⁺_0.11Fe²⁺_0.01]_Σ_1.00Mn³⁺_2.00O₄ compared to Mn²⁺Mn³⁺₂O₄ obtained by refinement. The single-crystal structure refinement in the tetragonal space group I4₁/amd gave R1 = 0.0215 for 669 independently observed reflections. The unit-cell parameters are a = b = 5.7556(6), c = 9.443(1) Å, and V = 312.80(7) Å³. The Jahn–Teller elongated Mn³⁺O₆ octahedron of the M site consists of M–O × 4 = 1.9272(5), M–O × 2 = 2.2843(7), and an average <M–O>[6] = 2.0462(2) Å, whereas the Mn²⁺O₄ tetrahedron of the T site has T–O × 4 = 2.0367(8) Å. The site occupancy factors (sof) are M(sof) = 1.0 Mn (fixed, thereafter) and T(sof) = 1.0008(2) Mn. The EPMA composition for sample-b is [Mn_0.99Mg_0.01](Mn_1.52Fe_0.48)O₄. The Rietveld refinement gave R (F²) = 0.0368. The unit-cell parameters are a = b = 5.78144(1), c = 9.38346(3) Å, and V = 313.642(1) Å³. The octahedron has M–O × 4 = 1.9364(3), M–O × 2 = 2.2595(6), and average <M–O>[6] = 2.0441(2) Å, whereas T–O × 4 = 2.0438(5) Å. The refinement gave T(sof) = 0.820(9) Mn²⁺ + 0.180(9) Fe²⁺ and M(sof) = 0.940(5) Mn³⁺ + 0.060(5) Fe³⁺. Samples-a and -b are normal spinels with different amounts of substitutions at the M and T sites. The Jahn–Teller elongation, Δ(M–O), is smaller in sample-b because atom substitutions relieve strain compared to pure Mn₃O₄. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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16 pages, 4285 KiB

Open AccessFeature PaperArticle

Dellagiustaite: A Novel Natural Spinel Containing V²⁺

by Fernando Cámara, Luca Bindi, Adriana Pagano, Renato Pagano, Sarah E. M. Gain and William L. Griffin

Minerals 2019, 9(1), 4; https://doi.org/10.3390/min9010004 - 21 Dec 2018

Cited by 14 | Viewed by 4720

Abstract

Dellagiustaite, ideally Al₂V²⁺O₄, is a new spinel-group mineral from Sierra de Comechingones, San Luis, Argentina, where it is found associated with hibonite (containing tubular inclusions, 5–100 μm, of metallic vanadium), grossite, and two other unknown phases with ideal stoichiometry of Ca₂Al₃O₆F and Ca₂Al₂SiO₇. A very similar rock containing dellagiustaite has been found at Mt Carmel (northern Israel), where super-reduced mineral assemblages have crystallized from high-T melts trapped in corundum aggregates (micro-xenoliths) within picritic-tholeiitic lavas ejected from Cretaceous volcanoes. In the holotype, euhedral grains of dellagiustaite are found as inclusions in grossite. The empirical average chemical formula of dellagiustaite is (Al_1.09

V_{0.91}^{2 +} V_{0.87}^{3 +}

Mg_0.08

{Ti}_{0.04}^{3 +}

Mn_0.01)_Σ3O₄, but it may show limited replacement of V²⁺ by Mg and of V³⁺ by Al. As Al is the dominant trivalent cation, the ideal formula is Al₂V²⁺O₄ according to the current IMA rules. Dellagiustaite shows the usual space group of spinel-group minerals (Fd

\bar{3}

m, R₁ = 1.46%) with a = 8.1950(1) Å. The observed mean bond lengths <T–O> = 1.782(2) Å and <M–O> = 2.0445(9) Å, the observed site scattering (T = 13.3 eps, M = 22.5 eps), and the chemical composition show that dellagiustaite is an inverse spinel: T tetrahedra are occupied by Al³⁺, whereas M octahedra are occupied by V²⁺ and V³⁺, leading to the site assignment as ^TAl^M(

V_{0.91}^{2 +} V_{0.88}^{3 +} {Al}_{0.09}^{3 +}

Mg_0.08

{Ti}_{0.03}^{3 +}

Mn_0.01)O₄. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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Review

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17 pages, 6785 KiB

Open AccessReview

Using Complementary Methods of Synchrotron Radiation Powder Diffraction and Pair Distribution Function to Refine Crystal Structures with High Quality Parameters—A Review

by Seungyeol Lee and Huifang Xu

Minerals 2020, 10(2), 124; https://doi.org/10.3390/min10020124 - 31 Jan 2020

Cited by 22 | Viewed by 7228

Abstract

Determination of the atomic-scale structures of certain fine-grained minerals using single-crystal X-ray diffraction (XRD) has been challenging because they commonly occur as submicron and nanocrystals in the geological environment. Synchrotron powder diffraction and scattering techniques are useful complementary methods for studying this type of minerals. In this review, we discussed three example studies investigated by combined methods of synchrotron radiation XRD and pair distribution function (PDF) techniques: (1) low-temperature cristobalite; (2) kaolinite; and (3) vernadite. Powder XRD is useful to determine the average structure including unit-cell parameters, fractional atomic coordinates, occupancies and isotropic atomic displacement parameters. X-ray/Neutron PDF methods are sensitive to study the local structure with anisotropic atomic displacement parameters (ADP). The results and case studies suggest that the crystal structure and high-quality ADP values can be obtained using the combined methods. The method can be useful to characterize crystals and minerals that are not suitable for single-crystal XRD. Full article

(This article belongs to the Special Issue Feature Papers in Crystallography, Mineralogy, and Physical Chemistry of Minerals 2019)

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