scholarly journals Tellurium Minerals: Structural and Chemical Diversity and Complexity

Minerals ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 623
Author(s):  
Vladimir G. Krivovichev ◽  
Sergey V. Krivovichev ◽  
Marina V. Charykova
Keyword(s):  
Statistical Analysis ◽  
Chemical Weathering ◽  
Chemical Elements ◽  
Structural Complexity ◽  
Ore Deposits ◽  
Chemical Diversity ◽  
Mineral Species ◽  
Hydrothermal Solutions ◽  
Informational Entropy ◽  
Reducing Conditions

The chemical diversity and complexity of tellurium minerals were analyzed using the concept of mineral systems and Shannon informational entropy. The study employed data for 176 Te mineral species known today. Tellurium minerals belong to six mineral systems in the range of one-to-six species-defining elements. For 176 tellurium minerals, only 36 chemical elements act as essential species-defining constituents. The numbers of minerals of main elements are calculated as follows (the number of mineral species is given in parentheses): O (89), H (48), Cu (48), Pb (43), Bi (31), S (29), Ag (20), Fe (20), Pd (16), Cl (13), and Zn (11). In accordance with their chemistry, all Te minerals are classified into five types of mineral systems: tellurium, oxides, tellurides and intermetalides, tellurites, and tellurates. A statistical analysis showed positive relationships between the chemical, structural, and crystallochemical complexities and the number of essential species-defining elements in a mineral. A positive statistically significant relationship between chemical and structural complexities was established. It is shown that oxygen-free and oxygen-bearing Te minerals differ sharply from each other in terms of chemical and structural complexity, with the first group of minerals being simpler than the second group. The oxygen-free Te minerals (tellurium, tellurides, and intermetallides) are formed under reducing conditions with the participation of hydrothermal solutions. The most structurally complex oxygen-bearing Te minerals originate either from chemical weathering and the oxidation of ore deposits or from volcanic exhalations (Nabokoite).

scholarly journals Selenium Minerals: Structural and Chemical Diversity and Complexity

Minerals ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 455 ◽  
Author(s):  
Vladimir G. Krivovichev ◽  
Sergey V. Krivovichev ◽  
Marina V. Charykova
Keyword(s):  
Chemical Elements ◽  
Structural Complexity ◽  
Essential Element ◽  
Closed Shell ◽  
Unit Cell ◽  
Chemical Diversity ◽  
Near Surface ◽  
International Mineralogical Association ◽  
Chemical Complexity ◽  
Essential Components

Chemical diversity of minerals containing selenium as an essential element has been analyzed in terms of the concept of mineral systems and the information-based structural and chemical complexity parameters. The study employs data for 123 Se mineral species approved by the International Mineralogical Association as of 25 May 2019. All known selenium minerals belong to seven mineral systems with the number of essential components ranging from one to seven. According to their chemical features, the minerals are subdivided into five groups: Native selenium, oxides, selenides, selenites, and selenates. Statistical analysis shows that there are strong and positive correlations between the chemical and structural complexities (measured as amounts of Shannon information per atom and per formula or unit cell) and the number of different chemical elements in a mineral. Analysis of relations between chemical and structural complexities provides strong evidence that there is an overall trend of increasing structural complexity with the increasing chemical complexity. The average structural complexity for Se minerals is equal to 2.4(1) bits per atom and 101(17) bits per unit cell. The chemical and structural complexities of O-free and O-bearing Se minerals are drastically different with the first group being simpler and the second group more complex. The O-free Se minerals (selenides and native Se) are primary minerals; their formation requires reducing conditions and is due to hydrothermal activity. The O-bearing Se minerals (oxides and oxysalts) form in near-surface environment, including oxidation zones of mineral deposits, evaporites and volcanic fumaroles. From the structural viewpoint, the five most complex Se minerals are marthozite, Cu(UO2)3(SeO3)2O2·8H2O (744.5 bits/cell); mandarinoite, Fe2(SeO3)3·6H2O (640.000 bits/cell); carlosruizite, K6Na4Na6Mg10(SeO4)12(IO3)12·12H2O (629.273 bits/cell); prewittite, KPb1.5ZnCu6O2(SeO3)2Cl10 (498.1 bits/cell); and nicksobolevite, Cu7(SeO3)2O2Cl6 (420.168 bits/cell). The mechanisms responsible for the high structural complexity of these minerals are high hydration states (marthozite and mandarinoite), high topological complexity (marthozite, mandarinoite, carlosruizite, nicksobolevite), high chemical complexity (prewittite and carlosruizite), and the presence of relatively large clusters of atoms (carlosruizite and nicksobolevite). In most cases, selenium itself does not play the crucial role in determining structural complexity (there are structural analogues or close species of marthozite, mandarinoite, and carlosruizite that do not contain Se), except for selenite chlorides, where stability of crystal structures is adjusted by the existence of attractive Se–Cl closed-shell interactions impossible for sulfates or phosphates. Most structurally complex Se minerals originate either from relatively low-temperature hydrothermal environments (as marthozite, mandarinoite, and carlosruizite) or from mild (500–700 °C) anhydrous gaseous environments of volcanic fumaroles (prewittite, nicksobolevite).

Quantitative parallel EELS spectrum imaging developed as a new tool in AEM

1992 ◽  
Vol 50 (2) ◽  
pp. 1202-1203
Author(s):  
Gianluigi Botton ◽  
Gilles L'espérance
Keyword(s):  
Statistical Analysis ◽  
Spatial Resolution ◽  
Personal Computer ◽  
Systematic Study ◽  
Present Author ◽  
Chemical Elements ◽  
Detection Limits ◽  
Research Groups ◽  
Quantitative Performance ◽  
Spectrum Imaging

As interest for parallel EELS spectrum imaging grows in laboratories equipped with commercial spectrometers, different approaches were used in recent years by a few research groups in the development of the technique of spectrum imaging as reported in the literature. Either by controlling, with a personal computer both the microsope and the spectrometer or using more powerful workstations interfaced to conventional multichannel analysers with commercially available programs to control the microscope and the spectrometer, spectrum images can now be obtained. Work on the limits of the technique, in terms of the quantitative performance was reported, however, by the present author where a systematic study of artifacts detection limits, statistical errors as a function of desired spatial resolution and range of chemical elements to be studied in a map was carried out The aim of the present paper is to show an application of quantitative parallel EELS spectrum imaging where statistical analysis is performed at each pixel and interpretation is carried out using criteria established from the statistical analysis and variations in composition are analyzed with the help of information retreived from t/γ maps so that artifacts are avoided.

scholarly journals Use of thermodynamic chemical potential diagrams (µCaO, µCO2) to understand the weathering of cement by a slightly carbonated water

Cerâmica ◽  
2008 ◽  
Vol 54 (331) ◽  
pp. 356-360 ◽  
Author(s):  
A. Blandine ◽  
G. Bernard ◽  
B. Essaïd
Keyword(s):  
Chemical Weathering ◽  
Chemical Potential ◽  
Chemical Elements ◽  
Continuous Solid Solution ◽  
The Core ◽  
Chemical Potentials ◽  
Knowing That ◽  
Cement System ◽  
Calcium Silicates ◽  
Hydrated Calcium

Cement is a ubiquitous material that may suffer hazardous weathering. The chemical weathering of cement in natural environment is mostly characterized by the leaching of CaO and the addition of CO2. The different weathering zones that develop at the expense of the cement may be predicted by the help of chemical potential phase diagrams; these diagrams simulate the behaviour of systems open to some chemical elements. Some components have a so-called inert status, that is to say the system is closed for these components, their amount in the system remains constant; some other components have a mobile status, that is to say these components can be exchanged with the outside of the system, their amount can vary from one sample zone to another. The mobile components are represented in the model by their chemical potentials (linked to their concentrations) that are variable in the external environment. The main features of the weathering of a cement system open to CaO and CO2 are predicted in a phase diagram with µCaO et µCO2 as diagram axes. From core to rim, one observes the disappearance of portlandite, ettringite and calcium monosulfoaluminate, the precipitation of calcite and amorphous silica, the modification of the composition of the CSH minerals (hydrated calcium silicates) that see a decrease of their c/s ratio (CaO/SiO2) from the core to the rim of the sample. For the CSH minerals, we have separated their continuous solid solution into three compositions defined by different CaO/SiO2 ratios and called phases 1, 2 and 3: CaO = 0.8, 1.1, 1.8 respectively for one mole of SiO2 knowing that H2O varies in the three compositions.

Coiraite, (Pb,Sn2+)12.5As3Fe2+Sn4+5 S28: a franckeite-type new mineral species from Jujuy Province, NW Argentina

2008 ◽  
Vol 72 (5) ◽  
pp. 1083-1101 ◽  
Author(s):  
W. H. Paar ◽  
Y. Moëlo ◽  
N. N. Mozgova ◽  
N. I. Organova ◽  
C. J. Stanley ◽  
...  
Keyword(s):  
Low Temperature ◽  
Microprobe Analysis ◽  
Electron Microprobe Analysis ◽  
Mineral Species ◽  
New Mineral ◽  
Hydrothermal Solutions ◽  
X Ray ◽  
New Mineral Species ◽  
Primary Mineral ◽  
The Ideal

AbstractCoiraite, ideally (Pb,Sn2+)12.5As3Fe2+Sn4+S28, occurs as an economically important tin ore in the large Ag-Sn-Zn polymetallic Pirquitas deposit, Jujuy Province, NW-Argentina. The new mineral species is the As derivative of franckeite and belongs to the cylindrite group of complex Pb sulphosalts with incommensurate composite-layered structures. It is a primary mineral, frequently found in colloform textures, and formed from hydrothermal solutions at low temperature. Associated minerals are franckeite, cylindrite, pyrite-marcasite, as well as minor amounts of hocartite, Ag-rich rhodostannite. arsenopyrite and galena. Laminae of coiraite consist of extremely thin bent platy crystals up to 50 urn long. Electron microprobe analysis (n = 31) gave an empirical formula Pb11.21As2.99Ag0.13Fe1.10Sn6.13S28.0 close to the ideal formula (Pb11.3Sn2+1.2)Σ=12.5As3Fe2+Sn4+S28. Coiraite has two monoclinic sub-cells, Q (pseudotetragonal) and H (pseudohexagonal). Q: a 5.84(1) Å, b 5.86(1) Å, c 17.32(1) Å, β 94.14(1)°, F 590.05(3) Å3, Z = 4, a:b:c = 0.997:1:2.955; H (orthogonal setting): a 6.28(1) Å, b 3.66(1) Å, c 17.33(1) Å, β 91.46(1)°, V398.01(6) Å3, Z = 2, a∶b∶c = 1.716∶1∶4.735. The strongest Debye-Scherrer camera X-ray powder-diffraction lines [d in Å, (I), (hkl)] are: 5.78, (20), (Q and H 003); 4.34, (40), (Q 004); 3.46, (30), (Q and H 005); 3.339, (20), (Q 104); 2.876, (100), (Q and H 006); 2.068, (60), (Q 220).

Statistical analysis of different chemical elements in groundwater of northwestern Saudi Arabia

2016 ◽  
Vol 87 (4) ◽  
pp. 469-475 ◽  
Author(s):  
Taisser Zumlot ◽  
Awni Batayneh ◽  
Haider Zaman ◽  
Habes Ghrefat ◽  
Saad Mogren ◽  
...  
Keyword(s):  
Saudi Arabia ◽  
Statistical Analysis ◽  
Chemical Elements ◽  
Northwestern Saudi Arabia

scholarly journals Analysis of a large food chemical database: chemical space, diversity, and complexity

F1000Research ◽  
2018 ◽  
Vol 7 ◽  
pp. 993 ◽  
Author(s):  
J. Jesús Naveja ◽  
Mariel P. Rico-Hidalgo ◽  
José L. Medina-Franco
Keyword(s):  
Natural Products ◽  
Chemical Space ◽  
Structural Complexity ◽  
Chemical Diversity ◽  
Chemical Structures ◽  
Novel Approach ◽  
Chemical Database ◽  
Protein Interactome ◽  
Limited Basis ◽  
Future Direction

Background: Food chemicals are a cornerstone in the food industry. However, its chemical diversity has been explored on a limited basis, for instance, previous analysis of food-related databases were done up to 2,200 molecules. The goal of this work was to quantify the chemical diversity of chemical compounds stored in FooDB, a database with nearly 24,000 food chemicals. Methods: The visual representation of the chemical space of FooDB was done with ChemMaps, a novel approach based on the concept of chemical satellites. The large food chemical database was profiled based on physicochemical properties, molecular complexity and scaffold content. The global diversity of FooDB was characterized using Consensus Diversity Plots. Results: It was found that compounds in FooDB are very diverse in terms of properties and structure, with a large structural complexity. It was also found that one third of the food chemicals are acyclic molecules and ring-containing molecules are mostly monocyclic, with several scaffolds common to natural products in other databases. Conclusions: To the best of our knowledge, this is the first analysis of the chemical diversity and complexity of FooDB. This study represents a step further to the emerging field of “Food Informatics”. Future study should compare directly the chemical structures of the molecules in FooDB with other compound databases, for instance, drug-like databases and natural products collections. An additional future direction of this work is to use the list of 3,228 polyphenolic compounds identified in this work to enhance the on-going polyphenol-protein interactome studies.

scholarly journals Multivariate Statistical Analysis of Trace Elements in Pyrite: Prediction, Bias and Artefacts in Defining Mineral Signatures

Minerals ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 61 ◽  
Author(s):  
Marija Dmitrijeva ◽  
Nigel J. Cook ◽  
Kathy Ehrig ◽  
Cristiana L. Ciobanu ◽  
Andrew V. Metcalfe ◽  
...  
Keyword(s):  
Trace Elements ◽  
Statistical Analysis ◽  
Trace Element ◽  
South Australia ◽  
Large Datasets ◽  
Ore Deposits ◽  
Partial Replacement ◽  
Multivariate Statistical ◽  
Wide Range ◽  
Olympic Dam

Pyrite is the most common sulphide in a wide range of ore deposits and well known to host numerous trace elements, with implications for recovery of valuable metals and for generation of clean concentrates. Trace element signatures of pyrite are also widely used to understand ore-forming processes. Pyrite is an important component of the Olympic Dam Cu–U–Au–Ag orebody, South Australia. Using a multivariate statistical approach applied to a large trace element dataset derived from analysis of random pyrite grains, trace element signatures in Olympic Dam pyrite are assessed. Pyrite is characterised by: (i) a Ag–Bi–Pb signature predicting inclusions of tellurides (as PC1); and (ii) highly variable Co–Ni ratios likely representing an oscillatory zonation pattern in pyrite (as PC2). Pyrite is a major host for As, Co and probably also Ni. These three elements do not correlate well at the grain-scale, indicating high variability in zonation patterns. Arsenic is not, however, a good predictor for invisible Au at Olympic Dam. Most pyrites contain only negligible Au, suggesting that invisible gold in pyrite is not commonplace within the deposit. A minority of pyrite grains analysed do, however, contain Au which correlates with Ag, Bi and Te. The results are interpreted to reflect not only primary patterns but also the effects of multi-stage overprinting, including cycles of partial replacement and recrystallisation. The latter may have caused element release from the pyrite lattice and entrapment as mineral inclusions, as widely observed for other ore and gangue minerals within the deposit. Results also show the critical impact on predictive interpretations made from statistical analysis of large datasets containing a large percentage of left-censored values (i.e., those falling below the minimum limits of detection). The treatment of such values in large datasets is critical as the number of these values impacts on the cluster results. Trimming of datasets to eliminate artefacts introduced by left-censored data should be performed with caution lest bias be unintentionally introduced. The practice may, however, reveal meaningful correlations that might be diluted using the complete dataset.

scholarly journals Language Contact and Morphosyntactic Complexity: Evidence from German

2014 ◽  
Vol 26 (1) ◽  
pp. 1-29 ◽  
Author(s):  
Péter Maitz ◽  
Attila Németh
Keyword(s):  
Statistical Analysis ◽  
Second Language Acquisition ◽  
Language Acquisition ◽  
Social Factors ◽  
Language Contact ◽  
Structural Complexity ◽  
Speech Community ◽  
Linguistic Complexity ◽  
Language Varieties ◽  
Corpus Data

The article focuses on the hypothesis that the structural complexity of languages is variable and historically changeable. By means of a quantitative statistical analysis of naturalistic corpus data, the question is raised as to what role language contact and adult second language acquisition play in the simplification and complexification of language varieties. The results confirm that there is a significant correlation between intensity of contact and linguistic complexity, while at the same time showing that there is a need to consider other social factors, and, in particular, the attitude of a speech community toward linguistic norms.*

scholarly journals Silicon Isotope Geochemistry: Fractionation Linked to Silicon Complexations and Its Geological Applications

Molecules ◽  
2019 ◽  
Vol 24 (7) ◽  
pp. 1415 ◽  
Author(s):  
Wang ◽  
Wei ◽  
Jiang ◽  
Liu ◽  
Lei ◽  
...  
Keyword(s):  
Chemical Weathering ◽  
Isotope Fractionation ◽  
Isotope Geochemistry ◽  
Ore Deposits ◽  
Silicon Isotope ◽  
Core Formation ◽  
Silicon Isotopes ◽  
Silica Precipitation ◽  
Geological Processes ◽  
Biological Uptake

The fundamental advances in silicon isotope geochemistry have been systematically demonstrated in this work. Firstly, the continuous modifications in analytical approaches and the silicon isotope variations in major reservoirs and geological processes have been briefly introduced. Secondly, the silicon isotope fractionation linked to silicon complexation/coordination and thermodynamic conditions have been extensively stressed, including silicate minerals with variable structures and chemical compositions, silica precipitation and diagenesis, chemical weathering of crustal surface silicate rocks, biological uptake, global oceanic Si cycle, etc. Finally, the relevant geological implications for meteorites and planetary core formation, ore deposits formation, hydrothermal fluids activities, and silicon cycling in hydrosphere have been summarized. Compared to the thermodynamic isotope fractionation of silicon associated with high-temperature processes, that in low-temperature geological processes is much more significant (e.g., chemical weathering, biogenic/non-biogenic precipitation, biological uptake, adsorption, etc.). The equilibrium silicon isotope fractionation during the mantle-core differentiation resulted in the observed heavy isotope composition of the bulk silicate Earth (BSE). The equilibrium fractionation of silicon isotopes among silicate minerals are sensitive to the Si–O bond length, Si coordination numbers (CN), the polymerization degrees of silicate unites, and the electronegativity of cations in minerals. The preferential enrichment of different speciation of dissoluble Si (DSi) (e.g., silicic acid H4SiO40 (H4) and H3SiO4− (H3)) in silica precipitation and diagenesis, and chemical weathering, lead to predominately positive Si isotope signatures in continental surface waters, in which the dynamic fractionation of silicon isotope could be well described by the Rayleigh fractionation model. The role of complexation in biological fractionations of silicon isotopes is more complicated, likely involving several enzymatic processes and active transport proteins. The integrated understanding greatly strengthens the potential of δ30Si proxy for reconstructing the paleo terrestrial and oceanic environments, and exploring the meteorites and planetary core formation, as well as constraining ore deposits and hydrothermal fluid activity.

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