Cd Sb Research Articles

Interface atomic structures in a cadmium arsenide/III–V semiconductor heterostructure

The interface atomic structure between an epitaxial thin film of the prototype topological semimetal cadmium arsenide (Cd3As2) and a III–V semiconductor layer is investigated using high-angle annular dark-field imaging in an aberration-corrected scanning transmission electron microscope. We find that the interface unit cell adopts a defined stoichiometry that is CdSb-like, which is achieved through the insertion of periodically arranged Cd vacancies in the terminating Cd-plane of Cd3As2. This interface stoichiometry is consistent with the Sb-termination of the III–V layer and the fact that CdSb is the thermodynamically stable phase in the Cd–Sb binary system. We find at least two distinct alignments of the film with respect to the buffer layer, which are characterized by a 14100Cd3As2 shift parallel to the interface. We show that steps of half unit cell height in the III–V layer can produce these distinct interface structures.

Recognizing geochemical patterns related to mineralization using a self-organizing map

The recognition of geochemical patterns, including the spatial association of geochemical patterns, geochemical element associations, and geochemical anomalies related to mineralization, requires different methods to meet the corresponding requirements. In this study, a self-organizing map (SOM), an unsupervised learning technique, was employed to realize the whole processes of geochemical pattern recognition in southeastern Hubei Province, China. First, the clustering ability of SOM was adopted to reveal the spatial association of geochemical patterns; then, geochemical elemental associations were adopted according to the association between variables and clusters derived from the correlation analysis between the unified distance matrix (U-matrix) and SOM maps, and finally the quantification error (QE) of the SOM was adopted as an anomalous index to detect multivariate geochemical anomalies related to mineralization. The obtained results show that two of the clusters are spatially closely related to ore-forming geological bodies, that is Precambrian strata and Yanshanian intrusive rocks. The associations of Au–As–Ba–Cd–Sb–V and Au–Ag–Pb–Zn–Bi–Cu–Mo–Na2O–P–Sr–W are responsible for the characterization of the two clusters, and their combination was further used for multivariate geochemical anomaly detection. The extracted multivariate geochemical anomalies are closely spatially correlated with known gold polymetallic deposits. Both the receiver operating characteristic (ROC) and success-rate curves suggest a satisfactory anomaly detection results, which can provide guidance for further mineral exploration. The results of this study also suggest that SOM is an effective and interpretable tool for a better recognition of geochemical patterns related to mineralization.

Potentially toxic elements in the soils of Campi Flegrei (south Italy) and the immediate surroundings: Spatial distribution, origin and probabilistic human health risk

Campi Flegrei is an active volcanic field in south Italy where the potentially toxic elements (PTEs) are of growing concern because the intensive anthropogenic and volcanic activities might pose adverse human health effects. In this article, 394 topsoils (0–15 cm) are collected for instrumental analysis of the <2 mm fraction. The geochemical maps indicate that higher concentrations of Pb, Zn, Cd, Cr, Hg, Ni and Sb are related to the urban area, but greater levels of As, Tl, Co, Cu, Se and V are observed in the other parts. A robust principal component analysis detected: (1) the Pb–Zn–Hg–Cd–Sb–Cr–Ni association that probably highlights anthropogenic activities such as heavy traffic load and fossil fuel combustion in the urbanized area; (2) the Al–Fe–Mn–Ti–Tl–V–Co–As–U–Th association that mostly reveals the contribution of pyroclastic deposits; and (3) the Na–K–B association that feasibly indicates the weathering degree. The probabilistic health risk modeling for the children under 6 years old shows negligible Pb and Zn non-carcinogenic risk and unexpected Pb carcinogenic risk for exposure through soil ingestion. However, for the inhalation pathway, the children aged <1 year old have the highest chance (90%) of acceptable (i.e. between 1E-6 and 1E-4) Pb carcinogenic health risk. This should not be overlooked because Naples is under high environmental pressure and previous studies reported the increased Pb and Zn quantities in soil over a 26-year timespan. Overall, the results of geostatistical interpolation, compositional data analysis and probabilistic health risk modeling potentially uncover the link between soil geochemistry and human health.

The Role of Preceding Parallel Chemical Reactions and Reactive Nanoclusters in the Processes of Phase Transformations of Intermetallic Compounds

Using the chemical, electrochemical, and X-ray phase analysis, it has been shown that intermetallic compounds in Zn–Sb, Cd–Sb, Mg–Sb, and Al–Sb systems dissolve mainly with metal ionization, partial ionization of antimony, and parallel processes such as “intermetallic compound–Sb” phase rearrangement and reverse reduction of the Sb3+ cations. It is postulated that the phase transformation process proceeds with the formation of a defective crystal lattice and appearance of reactive nanoclusters that interact to produce nuclei of a new phase and then a crystal structure. This process proceeds on the background of a partial uniform dissolution of the studied intermetallic compounds with reverse electrochemical reduction of Sb(III) cations in successive independent processes, as well as the parallel formation of the Sb-based few-atomic reactive clusters and further polyatomic nuclei of a similar phase. Chemical and electrochemical processes occur independently, but their relative rate depends on the magnitude of the potential determined by the level of cathodic and anodic polarization.

Exploratory Work in the Quaternary System of Ca⁻Eu⁻Cd⁻Sb: Synthesis, Crystal, and Electronic Structures of New Zintl Solid Solutions.

Investigation of the quaternary system, Ca–Eu–Cd–Sb, led to a discovery of the new solid solutions, Ca1−xEuxCd2Sb2, with the CaAl2Si2 structure type (x ≈ 0.3–0.9, hP5, Pm1, a = 4.6632(5)–4.6934(3) Å, c = 7.630(1)–7.7062(7) Å), Ca2−xEuxCdSb2 with the Yb2CdSb2 type (x ≈ 0.6, oS20, Cmc21, a = 4.646(2) Å, b = 17.733(7) Å, c = 7.283(3) Å), and Eu11−xCaxCd6Sb12 with the Sr11Cd6Sb12 type (x ≈ 1, mS58, C2/m, a = 32.407(4) Å, b = 4.7248(5) Å, c = 12.377(1) Å, β = 109.96(1)°). Systematic crystallographic studies of the Ca1−xEuxCd2Sb2 series indicated expansion of the unit cell upon an increase in the Eu content, in accordance with a larger ionic radius of Eu2+ vs. Ca2+. The Ca2−xEuxCdSb2 composition with x ≈ 0.6 adopts the non-centrosymmetric space group, Cmc21, although the parent ternary phase, Ca2CdSb2, crystallizes in the centrosymmetric space group, Pnma. Two non-equivalent Ca sites in the layered crystal structure of Ca2−xEuxCdSb2 get unevenly occupied by Eu, with a preference for the interlayer position, which offers a larger available volume. Similar size-driven preferred occupation is observed in the Eu11−xCaxCd6Sb12 solid solution with x ≈ 1.

Co-adsorption of Cd(II) and Sb(III) by ferrihydrite: a combined XPS and ITC study

Heavy metal and metalloid commonly coexist in soils and sediments, and interact frequently with various minerals. The coexistence of Sb and Cd is commonly observed in Sb mine area, but their co-adsorption behaviors to soil minerals still remain poorly understood. This study aimed to elucidate the co-adsorption characteristics of Cd(II) and Sb(III) by ferrihydrite (Fh) under anoxic condition. Batch experiments were performed to determine the sorption capacity of Cd(II) and Sb(III) in both single and binary systems. The major functional groups that were responsible for Cd(II) and Sb(III) sorption were determined by X-ray photoelectron spectroscopy (XPS), while the thermodynamic sorption mechanisms were elucidated using isothermal titration calorimetry. Cd(II) sorption on Fh increases with increasing pH levels (4–8) whereas Sb(III) sorption shows less variation with pH level variations. The Langmuir adsorption capacity is 55.54 mg/g for Cd(II) and 188.19 mg/g for Sb(III). In Cd–Sb binary systems, Cd(II) sorption is significantly diminished whereas Sb(III) uptake is close to single Sb(III) sorption. XPS indicates the Fe–OH groups are mainly responsible for the binding of Cd and Sb, possibly through the formation of inner-sphere complexes. This hypothesis is further confirmed by the positive entropy (ΔS) after Cd and/or Sb binding. A larger ΔS in the binary Cd–Sb titration than in their single titrations implies the formation of a ternary Fh–Sb–Cd complex, which results in a higher disorder of the sorption system. The presence of Sb(III) reduces Cd(II) sorption whereas Cd(II) has a negligible effect on Sb(III) sorption to ferrihydrite; moreover, Sb(III) and Cd(II) might form surface ternary complexes in binary systems. These new findings have important implications for predicting the sequestration, migration, and fate of Cd and Sb in soils.

Experimental measurements of some thermophysical properties of solid CdSb intermetallic in the Sn–Cd–Sb ternary alloy

The equilibrated grain boundary groove shapes of solid CdSb in equilibrium with Sn–Cd–Sb eutectic liquid were observed from a quenched sample by using a radial heat flow apparatus. The Gibbs–Thomson coefficient, solid–liquid interfacial energy and grain boundary energy of the solid CdSb intermetallic were determined from the observed grain boundary groove shapes. The thermal conductivity of the eutectic solid and the thermal conductivity ratio of eutectic liquid to the eutectic solid in the Sn–35.8 at.%Cd–6.71 at.%Sb eutectic alloy at its eutectic melting temperature were also measured with a radial heat flow apparatus and a Bridgman-type growth apparatus, respectively.

The measurements of electrical and thermal conductivity variations with temperature and phonon component of the thermal conductivity in Sn–Cd–Sb, Sn–In–Cu, Sn–Ag–Bi and Sn–Bi–Zn alloys

The electrical and thermal conductivity variations with temperature for lead-free ternary solders, namely Sn-41.39 at.% Cd-6.69 at.% Sb, Sn-49 at.% In-1 at.% Cu, Sn-50 at.% Ag-10 at.% Bi and Sn-32 at.% Bi-3 at.% Zn alloys, were measured by the d.c. four-point probe method and radial heat flow apparatus, respectively. The contributions of electrons and phonons to the thermal conductivity were separately determined by using the measured values of the thermal and electrical conductivities obtained by the Wiedemann–Franz law in the lead-free ternary solders. The percentages of the phonon component of thermal conductivity were found to be in the range of 46–55%, 46–50%, 38–47% and 69–73% for Sn-41.39 at.% Cd-6.69 at.% Sb, Sn-49 at.% In-1 at.% Cu, Sn-50 at.% Ag-10 at.% Bi and Sn-32 at.% Bi-3 at.% Zn alloys at the ranges of 318–443 K temperature, respectively. The temperature coefficients (α) of electrical conductivity for the lead-free ternary solders were found to be 2.47 × 10−3, 4.97 × 10−3, 1.14 × 10−3 and 1.00 × 10−3 K−1, respectively. The thermal conductivities of the solid phases at their melting temperature and the thermal temperature coefficients for the lead-free ternary solders were also found to be 47.72 ± 2.38, 68.57 ± 3.42, 73.52 ± 3.67, 37.53 ± 1.87 W/Km and 1.47 × 10−3, 1.48 × 10−3, 1.85 × 10−3 and 2.21 × 10−3 K−1, respectively.

K11Cd2Sb5 built of an unprecedented planar CdSb3 triangle.

The novel ternary Zintl phase K11Cd2Sb5 (1) with the unusual butterfly-shaped [Cd2Sb5](11-) (1a) cluster anion has been prepared by employing an enhanced stoichiometric proportion of K atoms that act as scissors. 1a is composed of two corner-shared unprecedented planar CdSb3 triangles that represent the first tricoordinated example of Cd unexpected for the octet rule.

Structural variability versus structural flexibility. A case study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).

The focus of this article is on the synthesis and structural characterization of the new ternary antimonides Eu(9)Cd(4+x)Sb(9) and Ca(9)Mn(4+x)Sb(9) (x ≈ (1)/2). Although these compounds have analogous chemical makeup and formulas, which may suggest isotypism, they actually belong to two different structure types. Eu(9)Cd(4.45(1))Sb(9) is isostructural with the previously reported Eu(9)Zn(4.5)Sb(9) (Pbam), and its structure has unit cell parameters a = 12.9178(11) Å, b = 23.025(2) Å, and c = 4.7767(4) Å. Ca(9)Mn(4.41(1))Sb(9) crystallizes in the orthorhombic space group Pnma with unit cell dimensions a = 12.490(2) Å, b = 4.6292(8) Å, and c = 44.197(8) Å and constitutes a new structure type. The two structures are compared and contrasted, and the structural relationships are discussed. Exploratory work aimed at the arsenic-based analogues of either type led to the identification of Ca(9)Zn(4.46(1))As(9), forming with the latter structure [a = 11.855(2) Å, b = 4.2747(8) Å, and c = 41.440(8) Å]. Differential thermal analysis and electrical resistivity measurements, performed on single crystals of Ca(9)Zn(4+x)As(9), indicate high thermal stability and semiconducting behavior. Magnetic susceptibility measurements on Eu(9)Cd(4+x)Sb(9) samples confirm the expected Eu(2+) ([Xe]4f(7)) ground state.

THE INDIUM-BEARING MINERALS OF THE PINGUINO POLYMETALLIC VEIN SYSTEM, DESEADO MASSIF, PATAGONIA, ARGENTINA

The Pinguino vein system forms part of the low-sulfidation epithermal mineralization associated with the Deseado Massif, Patagonia, Argentina. The ores are complex, with high tenors of Zn, Pb, Ag, Cd, Au, As, Cu, Sn, W and Bi. The mineralization developed in three stages: 1) an early Cu–As–Sn-(W–Bi–Ag–Au–In) stage (Ps 1 ), 2) a Zn–Pb-(Ag–In–Cd–Sb) stage (Ps 2 ), and 3) a late Zn–Cd–In stage (Ps 3 ). The polymetallic veins show a wide range of indium concentration (3.4 to 1184 ppm In). The highest values were achieved during the Ps 2 stage of mineralization, although significant In anomalies are also present in Ps 1 (up to 159 ppm). Three types of In association can be distinguished, on the basis of a microanalytical study of the ores. Iron-rich sphalerite from Ps 2 , volumetrically important at this stage, has very high In contents (up to 2.56 wt.% In), and therefore is the most important carrier of In at Pinguino. Tin minerals (ferrokesterite and cassiterite) in the Ps 1 assemblage are the second carriers in importance in these deposits, and their In contents may attain up to 3.02 wt.%. The third type is represented by greenockite crystals from assemblage Ps 3 , which presents important In contents (up to 3.63 wt.%), but these minerals are scarce in the deposit. The presence of high values of In and of Zn, Pb, Ag, Au, Cu, Sn, W and Bi in the polymetallic veins of the Pinguino vein system opens interesting possibilities for mineral exploration in the Deseado Massif.

The pentacoordinated [Cr(CO)5]2−dianion in [2,2,2-crypt-K]2[Cr(CO)5] ethylenediamine monosolvate

Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate, [K(C(18)H(36)N(2)O(6))](2)[Cr(CO)(5)]·C(2)H(8)N(2), was obtained from the reaction between K(3)Cd(2)Sb(2) and Cr(CO)(6) in ethylenediamine in the presence of the macrocyclic 2,2,2-crypt ligand. The structure provides the first crystallographic characterization of the pentacoordinated [Cr(CO)(5)](2-) dianion. The central Cr(III) atom is coordinated by five carbonyl ligands in a distorted trigonal-bipyramidal geometry. The distribution of the Cr-C bond lengths indicates a greater degree of back bonding from Cr(III) to the equatorial carbonyl ligands compared with the axial carbonyl ligands.

Pentaeuropium dicadmium pentaantimonide oxide, Eu5Cd2Sb5O

The title compound, Eu5Cd2Sb5O adopts the Ba5Cd2Sb5F-type structure (Pearson symbol oC52), which contains nine crystallographically unique sites in the asymmetric unit, all on special positions. One Eu, two Sb, and the Cd atom have site symmetry m..; two other Eu, the third Sb and the O atom have site symmetry m2m; the remaining Eu atom has 2/m.. symmetry. Eu atoms fill penta­gonal channels built from corner-sharing CdSb4 tetra­hedra. The isolated O atom, i.e., an oxide ion O2−, is located in a distorted tetra­hedral cavity formed by four Eu cations.

Pingüino In-bearing polymetallic vein deposit, Deseado Massif, Patagonia, Argentina: characteristics of mineralization and ore-forming fluids

The Pingüino deposit, located in the low sulfidation epithermal metallogenetical province of the Deseado Massif, Patagonia, Argentina, represents a distinct deposit type in the region. It evolved through two different mineralization events: an early In-bearing polymetallic event that introduced In, Zn, Pb, Ag, Cd, Au, As, Cu, Sn, W and Bi represented by complex sulfide mineralogy, and a late Ag–Au quartz-rich vein type that crosscut and overprints the early polymetallic mineralization. The indium-bearing polymetallic mineralization developed in three stages: an early Cu–Au–In–As–Sn–W–Bi stage (Ps1), a Zn–Pb–Ag–In–Cd–Sb stage (Ps2) and a late Zn–In–Cd (Ps3). Indium concentrations in the polymetallic veins show a wide range (3.4 to 1,184 ppm In). The highest indium values (up to 1,184 ppm) relate to the Ps2 mineralization stage, and are associated with Fe-rich sphalerites, although significant In enrichment (up to 159 ppm) is also present in the Ps1 paragenesis associated with Sn-minerals (ferrokesterite and cassiterite). The hydrothermal alteration associated with the polymetallic mineralization is characterized by advanced argillic alteration within the immediate vein zone, and sericitic alteration enveloping the vein zone. Fluid inclusion studies indicate homogenisation temperatures of 308.2–327°C for Ps1 and 255–312.4°C for Ps2, and low to moderate salinities (2 to 5 eq.wt.% NaCl and 4 to 9 eq.wt.% NaCl, respectively). δ34S values of sulfide minerals (+0.76‰ to +3.61‰) indicate a possible magmatic source for the sulfur in the polymetallic mineralization while Pb isotope ratios for the sulfides and magmatic rocks (206Pb/204Pb, 207Pb/204Pb and 208Pb/204Pb ratios of 17.379 to 18.502; 15.588 to 15.730 and 38.234 to 38.756, respectively) are consistent with the possibility that the Pb reservoirs for both had the same crustal source. Spatial relationships, hydrothermal alteration styles, S and Pb isotopic data suggest a probable genetic relation between the polymetallic mineralization and dioritic intrusions that could have been the source of metals and hydrothermal fluids. Mineralization paragenesis, alteration mineralogy, geochemical signatures, fluid inclusion data and isotopic data, confirm that the In-bearing polymetallic mineralization from Pingüino deposit is a distinct type, in comparison with the well-known epithermal low sulfidation mineralization from the Deseado Massif.

Undecaeuropium hexazinc dodecaarsenide

The title compound, Eu11Zn6As12, crystallizes with the Sr11Cd6Sb12 structure type (Pearson’s symbol mC58). The complex monoclinic structure of the first arsenide to form with this type features chains made of corner-sharing ZnAs4 tetra­hedra, separated by Eu atoms. There are a total of 15 unique positions in the asymmetric unit. Except for one Eu atom with site symmetry 2/m, all atoms are located on mirror planes. An usual aspect of the structure are some Zn—As distances, which are much longer than the sum of the covalent radii, indicating weaker inter­actions.

Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5Ox (0.5&lt;x&lt;0.7)

A new family of quaternary fluoro-antimonides A(5)Cd(2)Sb(5)F (A = Sr, Ba, Eu) and oxyantimonides Ba(5)Cd(2)Sb(5)O(x) (0.5<x<0.7) have been synthesized and structurally characterized. The title compounds are isotypic, and crystallize with a novel structure type in the orthorhombic space group Cmcm (Z = 4, Pearson symbol oC52). The crystal structures feature one-dimensional double-strands of corner-shared CdSb(4) tetrahedra, [Cd(2)Sb(5)](9-). The arrangement of the chains is such that two of the unshared Sb vertices are close together to form a Sb-Sb bond, effectively making pentagonal quasi-channels. One of the five A(2+) cations reside inside the tubes with the remaining four surrounding them. The electron balance is provided by O(2-) or F(-) anions, which fill suitable tetrahedral holes, left between the outer A(2+) cations. The chemical bonding in the new family has been investigated using TB-LMTO-ASA band structure calculations, which suggest that the presence of the electron acceptor, oxygen or fluorine, is essential for optimization of the bonding interactions.

Synthesis, crystallographic and theoretical studies of the new Zintl phases Ba2Cd2Pn3 (Pn = As, Sb), and the solid solutions (Ba1–xSrx)2Cd2Sb3and Ba2Cd2(Sb1–xAsx)3

Two new Zintl compounds Ba(2)Cd(2)As(3) and Ba(2)Cd(2)Sb(3) have been synthesized and structurally characterized. They crystallize in a novel monoclinic structure type with the space group C2/m (no. 12), featuring polyanionic layers made of CdPn(4) tetrahedra (Pn = As, Sb) and homoatomic Pn-Pn bonds. The topological relationships between the structure of Ba(2)Cd(2)Sb(3) and those of BaCd(2)Sb(2) (CaAl(2)Si(2) type) and Ba(3)Cd(2)Sb(4) (own type) are discussed as well. Based on electronic structures calculations, carried out by the density-functional method, and resistivity measurements, pure Ba(2)Cd(2)As(3) is shown to be a small-gap semiconductor and pure Ba(2)Cd(2)Sb(3) to be a poor metal. The structures of the title compounds are amenable to doping on both cation and pnicogen sites, which could enable fine-tuning the transport properties, and make them promising materials for thermoelectric applications.

The building blocks of metallothioneins: heterometallic Zn2+ and Cd2+ clusters from first-principles calculations

Electronic structures of Zn(2+) and Cd(2+) thiolate clusters found in metallothioneins (MT) have been obtained using density functional theory. We have found that the inherent asymmetry of cluster architectures gives rise to seven distinct metal sites. Whereas the non-strained bond lengths of such tetrathiolate complexes are found to be 2.60 Å and 2.39 Å for Cd-S and Zn-S, in the MT clusters four characteristic terminal and bridging bonds are observed with average lengths 2.55 Å (Cd-S(t)); 2.35 Å (Zn-S(t)); 2.62 Å (Cd-S(b)); and 2.42 Å (Zn-S(b)). For each stoichiometry of Zn(2+) and Cd(2+), all possible isomers have been characterized and ranked according to relative free energy and metal ion selectivity. The most stable distribution at low Cd(2+) concentration is computed to be Zn(4) + CdZn(2), whereas at 2 : 1 Cd(2+) : Zn(2+) concentration, only heteroclusters are thermodynamically stable, explaining experimental data. The presence of two different clusters in MTs must and can be rationalized already in their intrinsic differences. The results indicate that the asymmetry allows for Zn(2+) transfer to various molecular targets having different thresholds for Zn(2+) binding, while maintaining detoxification sites.

Screening of Trace Metals in the Plasma of Breast Cancer Patients in Comparison with a Healthy Population

ABSTRACT The plasmas of breast cancer patients and healthy donors were analyzed for selected trace metals by a flame atomic absorption spectrophotometric method. In the plasma of breast cancer patients, mean concentrations of macronutrients/essential metals, Na, K, Ca, Mg, Fe, and Zn were 3584, 197.0, 30.80, 6.740, 5.266, and 6.170 ppm, respectively, while the mean metal levels in the plasma of healthy donors were 3908, 151.0, 72.40, 17.70, 6.613, and 2.461 ppm, respectively. Average concentrations of Cd, Cr, Cu, Mn, Ni, Pb, Sb, Sr, and Zn were noted to be significantly higher in the plasma of breast cancer patients compared with healthy donors. Very strong mutual correlations (r > 0.70) in the plasma of breast cancer patients were observed between Cd–Pb, Cr–Li, Li–K, Li–Cd, K–Cr, Li–Pb, Cr–Co, Cu–Ni, Co–K, Cd–K, and K–Pb, whereas, Al–Cr, Ca–Zn, Cd–Sb, Cd–Zn, Ca–Mg, Fe–Zn, and Na–Mn exhibited strong relationships (r > 0.60) in the plasma of healthy donors. The cluster analysis revealed considerably different apportionment of trace metals in the two groups of donors. The average metal concentrations of different age groups of the two donor categories were also evaluated, which showed the build-up of Al, Cd, Co, Cr, Mn, Li, Pb, Sb, and Zn in the plasma of breast cancer patients. The role of some trace metals in carcinogenesis is also discussed. The study indicated appreciably different patterns of metal distribution and correlation in the plasma of breast cancer patients in comparison with the healthy population.

Thermodynamic modeling of the Cd–Sb–Zn ternary system

The thermodynamic modeling and optimization of Cd–Sb, Sb–Zn binary systems and the Cd–Sb–Zn ternary system were carried out by means of the CALPHAD (CALculation of the PHAse Diagram) technique. The solution phases (liquid, hexagonal closed packed) were modeled with the Redlich–Kister equation. The Sb 3Zn 4 phases at high temperature ( δ - Sb 3 Zn 4 and δ ′ - Sb 3 Zn 4 ), and Sb 2Zn 3 ones (two modifications: η and ξ ) were treated as stoichiometric compounds. Two two-sublattice models, (Sb)(Cd,Zn,V a) and (Sb) 3 (Cd,Zn,Va) 4 , were applied to describe the compounds ω - SbZn and ε - Sb 3 Zn 4 in the Cd–Sb–Zn system, respectively. A set of self-consistent thermodynamic descriptions of the Cd–Sb–Zn system were obtained.