The crystal structure of alumoklyuchevskite,K<Subscript>3</Subscript>Cu<Subscript>3</Subscript>AlO<Subscript>2</Subscript>(SO<Subscript>4</Subscript>)<Subscript>4</Subscript>

The crystal structure of the unstable mineral alumoklyuchevskite K₃Cu₃AlO₂(SO₄)₄ [monoclinic, I2, a = 18.772(7), b = 4.967(2), c = 18.468(7) Å, β = 101.66(1)°, V = 1686(1) Å] was refined to R ₁ = 0.131 for 2450 unique reflections with F ≥ 4σF _hkl. The structure is based on oxocentered tetrahedrons (OAlCu ₃ ⁷⁺ ) linked into chains via edges. Each chain is surrounded by SO₄ tetrahedrons forming a structural complex. Each complex is elongated along the b axis. This type of crystal structure was also found in other fumarole minerals of the Great Tolbachik Fissure Eruption (GTFE, Kamchatka Peninsula, Russia, 1975–1976), klyuchevskite, K₃Cu₃Fe³⁺O₂(SO₄)₄; and piypite, K₂Cu₂O(SO₄)₂.     

Dewatering Behaviour of a Uranium Ore Slurry Containing Clays

The main objective of this paper was to investigate the dewatering behaviour of a clayey uranium ore slurry. The slurry (containing 28% clay size) exhibited moderate water adsorption (w _l  = 83% and w _p  = 30%). Primarily composed of muscovite (46%) and quartz (30%), the clay minerals included illite (8%), chlorite (5%) and kaolinite (2%) alongside a CEC of 41 (cmol(+)/kg) with Ca²⁺ and Mg²⁺ as the dominant cations. Likewise, the high EC (17,600 μS/cm) and ionic strength (1.15 mol/L) indicated a flocculated microstructure due to the presence of SO₄ ^2? (22,600 mg/L) and Mg²⁺ (1340 mg/L) in the slurry water. Settling included sedimentation and consolidation at low initial solids condition (25–35%) whereas only consolidation was observed at high initial solids contents (40–50%). The average k reduced from 1.2 × 10^?6 m/s (initial s = 25%) to 5.3 × 10^?8 m/s (initial s = 50%) along with a void ratio reduction from 7.4 to 2.6. Due to thixotropic strength, volume compressibility during consolidation showed apparent pre-consolidation at low effective stress (0.3–2 kPa) with a reduction in void ratio from 2.6 to 2.5. The e _s was found to be 2.46 at σ′ = 2 kPa and was followed by a steeper slope with the void ratio reducing to 2.1 at σ′ = 31 kPa. Likewise, the hydraulic conductivity during consolidation decreased from 2.6 × 10^?9 m/s (at e = 2.6) to 2.0 × 10^?10 m/s (at e = 2.1).     

In situ formation of AgNPs on <Emphasis Type="Italic">S. cerevisiae</Emphasis> surface as bionanocomposites for bacteria killing and heavy metal removal

Novel bionanocomposites, S. cerevisiae–AgNPs, were synthesized by in situ formation of AgNPs on S. cerevisiae surface using fulvic acids as reductants under simulated sunlight. S. cerevisiae–AgNPs were characterized using UV–Vis spectroscopy, scanning electron microscope, transmission electron microscope and Fourier transform infrared spectroscopy. These analyses showed that AgNPs were distributed on the surface of S. cerevisiae. The application of S. cerevisiae–AgNPs in bacteria killing and heavy metal removal was studied. S. cerevisiae–AgNPs effectively inhibited the growth of E. coli with increasing concentrations of S. cerevisiae–AgNPs. E. coli was killed completely at high concentration S. cerevisiae–AgNPs (e.g., 100 or 200 µg mL^?1). S. cerevisiae–AgNPs as excellent heavy metal absorbents also have been studied. Using Cd²⁺ as model heavy metal, batch experiments confirmed that the adsorption behavior fitted the Langmuir adsorption isotherms and the Cd²⁺ adsorption capacity of S. cerevisiae–AgNPs was 15.01 mg g^?1. According to adsorption data, the kinetics of Cd²⁺ uptake by S. cerevisiae–AgNPs followed pseudo second-order kinetic model. Moreover, S. cerevisiae–AgNPs possessed ability of different heavy metals’ removal (e.g., Cr⁵⁺, As⁵⁺, Pb²⁺, Cu²⁺, Mn²⁺, Zn²⁺, Hg²⁺, Ni²⁺). The simulated contaminated water containing E. coli, Cd²⁺ and Pb²⁺ was treated using S. cerevisiae–AgNPs. The results indicated that the bionanocomposites can be used to develop antibacterial agents and bioremediation agents for water treatment.     

Avdoninite: New data,crystal structure and refined formula K<Subscript>2</Subscript>Cu<Subscript>5</Subscript>Cl<Subscript>8</Subscript>(OH)<Subscript>4</Subscript> · 2H<Subscript>2</Subscript>O

The paper reports new findings of avdoninite from deposits of active fumaroles in the Second Scoria Cone at the Northern Breach of the Great Fissure Tolbachik Eruption, Tolbachik Volcano, Kamchatka Peninsula, Russia. The crystal structure of the mineral has been determined for the first time, which has allowed reliable determination of its space group and unit cell dimensions, refinement of its formula K₂Cu₅-Cl₈(OH)₄ · 2H₂O, and correct indexing of its X-ray powder diffraction pattern. Avdoninite is monoclinic, space group P2₁/c, a = 11.592(2), b = 6.5509(11), c = 11.745(2) Å, β = 91.104(6)°, V = 891.8(3) ų, Z = 2. The crystal structure of this mineral has been determined on a single crystal R ₁ [F > 4σ (F)] = 0.063. It is based on sheets of copper–oxo-chloride complexes [Cu₅Cl₈(OH)₄]^2– parallel to (100). The K⁺ cation and H₂O molecules are interlayers.     

Theoretical investigations of the local structures and the <Emphasis Type="Italic">g</Emphasis> factors for 3d<Superscript>9</Superscript> ions in CdS

The local structures and the g factors g _// and g _⊥ for the isoelectronic 3d⁹ ions Cu²⁺ and Ni⁺ in CdS are theoretically investigated from the perturbation formulas of these parameters for a 3d⁹ ion under trigonally distorted tetrahedral environments. In consideration of significant covalency of the [MS₄] combinations (M = Cu and Ni), the ligand orbital and spin–orbit coupling contributions are taken into account using the cluster approach. Based on the studies, the substitutional impurity Cu²⁺ (or Ni⁺) on Cd²⁺ site is found to undergo a small inward displacement 0.026 Å (or a slight outward shift 0.017 Å) towards (or away from) the ligand triangle along C ₃ axis. The theoretical g factors for both ions based on the above impurity displacements are in good agreement with the experimental data.     

Thermodynamic controls on element partitioning between titanomagnetite and andesitic–dacitic silicate melts

Titanomagnetite–melt partitioning of Mg, Mn, Al, Ti, Sc, V, Co, Ni, Cu, Zn, Ga, Zr, Nb, Mo, Hf and Ta was investigated experimentally as a function of oxygen fugacity (fO₂) and temperature (T) in an andesitic–dacitic bulk-chemical compositional range. In these bulk systems, at constant T, there are strong increases in the titanomagnetite–melt partitioning of the divalent cations (Mg²⁺, Mn²⁺, Co²⁺, Ni²⁺, Zn²⁺) and Cu²⁺/Cu⁺ with increasing fO₂ between 0.2 and 3.7 log units above the fayalite–magnetite–quartz buffer. This is attributed to a coupling between magnetite crystallisation and melt composition. Although melt structure has been invoked to explain the patterns of mineral–melt partitioning of divalent cations, a more rigorous justification of magnetite–melt partitioning can be derived from thermodynamic principles, which accounts for much of the supposed influence ascribed to melt structure. The presence of magnetite-rich spinel in equilibrium with melt over a range of fO₂ implies a reciprocal relationship between a(Fe²⁺O) and a(Fe³⁺O_1.5) in the melt. We show that this relationship accounts for the observed dependence of titanomagnetite–melt partitioning of divalent cations with fO₂ in magnetite-rich spinel. As a result of this, titanomagnetite–melt partitioning of divalent cations is indirectly sensitive to changes in fO₂ in silicic, but less so in mafic bulk systems.     

Is NGC 7006 a globular cluster with a primarily red horizontal branch?

A CCD BV R photometric study of the central region (15″ ≤ r ≤ 100″) of the globular cluster NGC 7006 based on color-magnitude diagrams is presented. We find for the main parameters of the cluster [Fe/H] = ?1.62, Y = 0.21, E _B?V = 0.15 ^m , V _HB = 18.84 ^m , M _V ^HB =+0.56 ^m , R _⊙ = 37.1 kpc). Two previously unknown RR Lyr variables were discovered in the central region of the cluster. The morphological index of the horizontal branch for the entire region studied indicates that the red stellar population dominates, consistent with previous studies: HB _mi = ?0.13. Such anomalously negative morphological indices are possessed by a whole group of Ool clusters with intermediate metallicities, which also display a characteristic distribution of stars along the horizontal branch. There is a radial dependence for the horizontal-branch morphology, with the color becoming primarily blue with approach toward the cluster center. One possible origin for this behavior could be the effect of inner dynamical processes on the spatial distribution of hot stars.     

Crystal chemistry of selenates with mineral-like structures: VII. The structure of (H<Subscript>3</Subscript>O)[(UO<Subscript>2</Subscript>)(SeO<Subscript>4</Subscript>)(SeO<Subscript>2</Subscript>OH)] and some structural features of selenite-selenates

The crystal structure of a new compound, (H₃O)[(UO₂)(SeO₄)(SeO₂OH)] (monoclinic, P2₁/n, a = 8.6682(19), b = 10.6545(16), c = 9.846(2) Å, β = 97.881(17)°, V = 900.7(3) ų), was solved by direct methods and refined to R ₁ = 0.050. The structure contains two symmetrically different Se atoms. The Se1 site is coordinated by three O atoms as is characteristic of Se⁴⁺ cations. The Se2 site is coordinated by four O atoms and forms selenate anion SeO ₄ ^2? . The structure is based on selenite-selenate sheets [(UO₂)(SeO₄)(SeO₂OH)]^? linked by the interlayer H₃O^? ions. The sheets are parallel to (101). The structure is compared to that of schmiederite, Pb₂Cu₂(SeO₃)(SeO₄)(OH)₄.     

Influence of oxygen fugacity and temperature on the redox state of iron in natural silicic aluminosilicate melts

The influence of oxygen fugacity (fO₂) and temperature on the valence and structural state of iron was experimentally studied in glasses quenched from natural aluminosilicate melts of granite and pantellerite compositions exposed to various T-fO₂ conditions (1100–1420°C and 10^?12–10^?0.68 bar) at a total pressure of 1 atm. The quenched glasses were investigated by Mössbauer spectroscopy. It was shown that the effect of oxygen fugacity on the redox state of iron at 1320–1420°C can be described by the equation log(Fe³⁺/Fe²⁺) = k log(fO₂) + q, where k and q are constants depending on melt composition and temperature. The Fe³⁺/Fe²⁺ ratio decreases with decreasing fO₂ (T = const) and increasing temperature (fO₂ = const). The structural state of Fe³⁺ depends on the degree of iron oxidation. With increasing Fe³⁺/Fe²⁺ ≥ 1, the dominant coordination of Fe³⁺ changes from octahedral to tetrahedral. Ferrous iron ions occur in octahedral (and/or five-coordinated) sites independent of Fe³⁺/Fe²⁺.     

Compressibility of Sands of Various Geologic Origins at Pre-crushing Stress Levels

This study quantifies the influence of various intrinsic soil properties including particle roundness, R, sphericity, S, 50% size by weight, D ₅₀, coefficient of uniformity, C _u, and the state property of relative density, D _r, on the compression and recompression indices, C _c and C _r, of sands of various geologic origins at pre-crushing stress levels. Twenty-four sands exhibiting a wide range of particle shapes, gradations, and geologic origins were collected for the study. The particle shapes were determined using a computational geometry algorithm which allows characterization of a statistically large number of particles in specimens. One dimensional oedometer tests were performed on the soils. The new data was augmented with many previously published results. Through statistical analyses, simple functional relationships are developed for C _c and C _r. In both cases, the models utilized only R and D _r since other intrinsic properties proved to have lesser direct influence on the compression indices. However, previous studies showed that the contributions of S and C _u are felt through their effects on index packing void ratios and thus on D _r. The accuracy of the models was confirmed by comparison of predicted and observed C _c and C _r values.     

Attikaite,Ca<Subscript>3</Subscript>Cu<Subscript>2</Subscript>Al<Subscript>2</Subscript>(AsO<Subscript>4</Subscript>)<Subscript>4</Subscript>(OH)<Subscript>4</Subscript> · 2H<Subscript>2</Subscript>O,a new mineral species

Attikaite, a new mineral species, has been found together with arsenocrandalite, arsenogoyazite, conichalcite, olivenite, philipsbornite, azurite, malachite, carminite, beudantite, goethite, quartz, and allophane at the Christina Mine No. 132, Kamareza, Lavrion District, Attiki Prefecture (Attika), Greece. The mineral is named after the type locality. It forms spheroidal segregations (up to 0.3 mm in diameter) consisting of thin flexible crystals up to 3 × 20 × 80 μm in size. Its color is light blue to greenish blue, with a pale blue streak. The Mohs’ hardness is 2 to 2.5. The cleavage is eminent mica-like parallel to {001}. The density is 3.2(2) g/cm³ (measured in heavy liquids) and 3.356 g/cm³ (calculated). The wave numbers of the absorption bands in the infrared spectrum of attikaite are (cm^?1; sh is shoulder; w is a weak band): 3525sh, 3425, 3180, 1642, 1120w, 1070w, 1035w, 900sh, 874, 833, 820, 690w, 645w, 600sh, 555, 486, 458, and 397. Attikaite is optically biaxial, negative, α = 1.642(2), β = γ = 1.644(2) (X = c) 2V _means = 10(8)°, and 2V _calc = 0°. The new mineral is microscopically colorless and nonpleochroic. The chemical composition (electron microprobe, average over 4 point analyses, wt %) is: 0.17 MgO, 17.48 CaO, 0.12 FeO, 16.28 CuO, 10.61 Al₂O₃, 0.89 P₂O₅, 45.45 As₂O₅, 1.39 SO₃, and H₂O (by difference) 7.61, where the total is 100.00. The empirical formula calculated on the basis of (O,OH,H₂O)₂₂ is: Ca_2.94Cu _1.93 ²⁺ Al_1.97Mg_0.04Fe _0.02 ²⁺ [(As_3.74S_0.16P_0.12)_Σ4.02O_16.08](OH)_3.87 · 2.05H₂ O. The simplified formula is Ca₃Cu₂Al₂(AsO₄)₄(OH)₄ · 2H₂O. Attikaite is orthorhombic, space group Pban, Pbam or Pba2; the unit-cell dimensions are a = 10.01(1), b = 8.199(5), c = 22.78(1) Å, V = 1870(3) ų, and Z = 4. In the result of the ignition of attikaite for 30 to 35 min at 128–140°, the H₂O bands in the IR spectrum disappear, while the OH-group band is not modified; the weight loss is 4.3%, which approximately corresponds to two H₂O molecules per formula; and parameter c decreases from 22.78 to 18.77 Å. The strongest reflections in the X-ray powder diffraction pattern [d, Å (I, %)((hkl)] are: 22.8(100)(001), 11.36(60)(002), 5.01(90)(200), 3.38(5)(123, 205), 2.780(70)(026), 2.682(30)(126), 2.503(50)(400), 2.292(20)(404). The type material of attikaite is deposited in the Fersman Mineralogical Museum, Russian Academy of Sciences, Moscow. The registration number is 3435/1.     

Mathematical expression of discharge capacity of compound open channels using MARS technique

In this paper, analytical methods, artificial neural network (ANN) and multivariate adaptive regression splines (MARS) techniques were utilised to estimate the discharge capacity of compound open channels (COC). To this end, related datasets were collected from literature. The results showed that the divided channel method with a coefficient of determination (R ²) value of 0.76 and root mean square error (RMSE) value of 0.162 has the best performance, among the various analytical methods tested. The performance of applied soft computing models with R ²=0.97 and RMSE = 0.03 was found to be more accurate than analytical approaches. Comparison of MARS with the ANN model, in terms of developed discrepancy ratio (DDR) index, showed that the accuracy of MARS model was better than that of MLP model. Reviewing the structure of the derived MARS model showed that the longitudinal slope of the channel (S), relative flow depth (H _r ) and relative area (A _r ) have a high impact on modelling and forecasting the discharge capacity of COCs.     

Crystal chemistry of selenates with mineral-like structures. IV. Crystal structure of Zn(SeO<Subscript>4</Subscript>)(H<Subscript>2</Subscript>O)<Subscript>2</Subscript>, a new compound with a mixed framework of the variscite type

The crystal structure of a new compound Zn(SeO₄)(H₂O)₂ (orthorhombic, Pbca, a = 9.0411(13), b = 10.246(2), c = 10.3318(15) Å, V = 957.1(3) ų) has been solved by direct methods and refined to R ₁ = 0.033 on the basis of 1076 observed reflections with |F _hkl | ≥ 4σ|F _hkl |. The structure contains one independent Zn²⁺ cation coordinated by two water molecules and four oxygen atoms of selenate group. The only independent (SeO₄)^2? tetrahedral oxoanion is tetradentate, sharing its corners with four adjacent [Zn²⁺O₂(H₂O₄)]²⁺ octahedrons. The structure can be described as consisting of heteropolyhedral sheets parallel to the (001) plane and linked together into a three-dimensional network. The compound belongs to the variscite structure type and is the first structurally characterized selenate of this group.     

Interpretation of the light curves of “quiescent” X-ray novae in a model with a noncollisional interaction between the flow and disk. The XTE J1118+480 system

We have analyzed the orbital light curve of the X-ray nova XTE J1118+480 in a “disk + hot line” model based on three-dimensional gas-dynamical computations of gas flows in interacting binary systems. As a result, we have been able to derive reliable parameters for the system: i = 80 _?4 ⁺⁴ degrees, _MBH = 7.1 _?0.1 ^+0.5 M_⊙, M _opt = 0.39 _?0.07 ^+0.15 M_⊙.     

The impact of reflection effects on the parameters of the old pre-cataclysmic variables MS Peg and LM Com

We have determined the main parameters of the old precataclysmic variable stars MS Peg and LM Com. The radial velocities of the components, reflection effects in the spectra, and light curves of the systems are studied based on model stellar atmospheres subject to external irradiation. Forty-seven moderate-resolution spectra for MS Peg and 57 for LM Com obtained with the 6-m telescope of the Special Astrophysical Observatory are used to derive the refined orbital periods of 0.1736660 days and 0.2586873 days, respectively; the orbital eccentricities do not exceed e=0.04. The mass (M _w =0.49e_⊙) and radius (e _w =0.015R_⊙) of the MS Peg primary calculated using the gravitational redshift correspond to those for a cooling carbon white dwarf with a thin hydrogen envelope. The parameters of the red dwarf (M _r =0.19M_⊙, T_eff=3560 K, R _r =0.18R_⊙) are close to those derived from evolutionary tracks for main-sequence M stars with solar chemical composition. The radius (R _r =0.22R_⊙) and temperature (T_eff=3650 K) of the LM Com secondary exceed theoretical estimates for main-sequence stars with masses of M _r =0.17M_⊙. The luminosity excess of the red dwarf in LM Com can be explained by a prolonged (T>5×10⁶ yrs) relaxation of the M star to its normal state after the binary leaves the common-envelope stage. For both systems, theoretical U, B, V, and R light curves and spectra calculated using the adopted sets of parameters are generally consistent with the observations. This confirms the radiative origin of the hot spots, the unimportance of horizontal radiative transport, and the absence of large-scale velocity fields with high values (V_trans>50 km/s) at the surfaces of the secondaries. Most of the emission lines in the spectra of these objects are formed under conditions close to thermalization, enabling modeling of their pro files in an LTE approximation. A strong λ3905 Å emission line has been identified as the 3s²3p4s 1P⁰-3s²3p² 1S SiI λ3905.52 Å line formed in the atmosphere of the hot spot. The observed intensity can be explained by non-LTE “superionization” of SiI atoms by soft UV radiation from the white dwarf. We suggest a technique for identifying binaries whose cool components are subject to UV irradiation based on observations of λ3905 Å emission in their spectra.     

Crystal chemistry of selenates with mineral-like structures. III. Heteropolyhedral chains in the crystal structure of [Mg(H<Subscript>2</Subscript>O)<Subscript>4</Subscript>(SeO<Subscript>4</Subscript>)]<Subscript>2</Subscript>(H<Subscript>2</Subscript>O)

The crystal structure of a new compound [Mg(H₂O)₄(SeO₄)]₂(H₂O) (monoclinic, P2 ₁/a, a = 7.2549(12), b = 20.059(5), c = 10.3934(17) Å, β = 101.989(13), V = 1479.5(5) ų) has been solved by direct methods and refined to R ₁ = 0.059 for 2577 observed reflections with |F _hkl | ≥ 4σ|F _hkl |. The structure consists of [Mg(H₂O)₄(SeO₄)]⁰ chains formed by alternating corner-sharing Mg octahedrons and (SeO₄)^2? tetrahedrons. O atoms of Mg octahedrons that are shared with selenate tetrahedrons are in a trans orientation. The heteropoly-hedral octahedral-tetrahedral chains are parallel to the c axis and undulate within the (010) plane. The adjacent chains are linked by hydrogen bonds involving H₂O molecules not bound with M²⁺ cations.     

Physicochemical model for the crystallization of rocks of the calc-alkaline series

The Al-rich region of the CaO-MgO-Al₂O₃-SiO₂ system was experimentally studied at pressures of 1.0–2.8 GPa and temperatures of 1300–1535°C. The slopes of the lines of the monovariant reactions An + Sp = Cpx + Cor + (Ga) and L = Cpx + Ga + Cor + Sp and the compositions of the phases involved in these reactions are determined. The results are utilized in the topological analysis of the aluminous region of the CaO-MgO-Al₂O₃-SiO₂ system. On this basis, the principal structure of the phase diagram is analyzed, and a phase diagram is constructed for the junction region of the quaternary system and the CaO-Al₂O₃-SiO₂ ternary system. A continuous series of the monovariant eutectic: L = Cpx + Opx + Fo + An, L = Cpx + Opx + An + Sp, L = Cpx + (Ga) + An + Sp, L = Cpx + Cor + (Ga) + An, L = An + Ga + Cpx + Ky and L = Ga + Cpx + Ky + Qz is examined within the pressure range from atmospheric to 3.0 GPa and higher. Analogous “telescoped” eutectic series are of fundamental character for interpreting the evolution of magmatic melts. A physicochemical model is suggested for the evolution of magmatic melts that produce rocks of the calc-alkaline series, with this model underlain by the fact that a change in the composition of magmatic melt at a pressure decrease should correspond to the minimum melting temperatures, i.e., to melts in the fundamental series of eutectic reactions. The comparison of our physicochemical model and rocks of the calc-alkaline series shows that the compositions of rocks of the calc-alkaline series are close to the compositions determined for the eutectic equilibria, and the mineralogical composition of xenoliths and megacrysts in volcanic and dike varieties of the rocks are similar to the subsolidus phases of the established fundamental eutectic system.     

Droninoite,Ni<Subscript>3</Subscript>Fe<Superscript>3+</Superscript>Cl(OH)<Subscript>8</Subscript> · 2H<Subscript>2</Subscript>O,a new hydrotalcite-group mineral species from the weathered Dronino meteorite

A new mineral, droninoite, was found in a fragment of a weathered Dronino iron meteorite (which fell near the village of Dronino, Kasimov district, Ryazan oblast, Russia) as dark green to brown fine-grained (the size of single grains is not larger than 1 μm) segregations up to 0.15 × 1 × 1 mm in size associated with taenite, violarite, troilite, chromite, goethite, lepidocrocite, nickelbischofite, and amorphous Fe³⁺ hydroxides. The mineral was named after its type locality. Aggregates of droninoite are earthy and soft; the Mohs hardness is 1–1.5. The calculated density is 2.857 g/cm³. Under a microscope, droninoite is dark gray-green and nonpleochroic. The mean (cooperative for fine-grained aggregate) refractive index is 1.72(1). The IR spectrum indicates the absence of S O ₄ ^2? and C O ₃ ^2? anions. Chemical composition (electron microprobe, partition of total iron into Fe²⁺ and Fe³⁺ made on the basis of the ratio (Ni + Fe²⁺): Fe³⁺ = 3: 1; water is calculated from the difference) is as follows, wt %: 36.45 NiO, 12.15 FeO, 17.55 Fe₂O₃, 23.78 H₂O, 13.01 Cl, ?O=Cl₂ ?2.94, total is 100.00. The empirical formula (Z = 6) is Ni_2.16Fe _0.75 ²⁺ Fe _0.97 ³⁺ Cl_1.62(OH)_7.10 · 2.28H₂O. The simplified formula is Ni₃Fe³⁺Cl(OH)₈ · 2H₂O. Droninoite is trigonal, space group R \(\bar 3\) m, R3m, or R32; a = 6.206(2), c = 46.184(18) Å; V = 1540.4(8) ų. The strong reflections in the X-ray powder diffraction pattern [d, Å (I, %) (hkl)] are 7.76(100)(006), 3.88(40)(0.0.12), 2.64(25)(202, 024), 2.32(20)(0.2.10), 1.965(0.2.16). The holotype specimen is deposited at the Fersman Mineralogical Museum, Russian Academy of Sciences, Moscow, registration number 3676/1.     

Crystal Chemistry of Pyroaurite from the Kovdor Pluton,Kola Peninsula,Russia, and the Långban Fe–Mn deposit,Värmland,Sweden

Pyroaurite [Mg₆Fe₂³⁺ (OH)₁₆][(CO₃)(H₂O)] from the Kovdor Pluton on the Kola Peninsula, Russia, and the Långban deposit in Filipstad, Värmland, Sweden were studied with single crystal and powder X-ray diffraction, an electron microprobe, and Raman spectroscopy. Both samples are rhombohedral, space group R3?m, a = 3.126(3), c = 23.52(2) Å (Kovdor), and a = 3.1007(9), c = 23.34(1) (Långban). The powder XRD revealed only the 3R polytype. The ratio of di- and trivalent cations M²⁺: M³⁺ was determined as ~3.1–3.2 (Kovdor) and ~3.0 (Långban). The Raman spectroscopy of the Kovdor sample verified hydroxyl groups and/or water molecules in the mineral (absorption bands in the region of 3600–3500 cm^–1) and carbonate groups (absorption bands in the region of 1346–1058 cm^–1). Based on the data obtained, the studied samples should be identified as pyroaurite-3R (hydrotalcite group).     

Development of a technique for IR spectroscopic determination of nitrogen content and aggregation degree in diamond crystals

A technique for IR spectroscopic determination of the total nitrogen content N _S in the form of A-and B ₁-defects is suggested. It provides for the computer processing and decomposition of IR spectra into constituent bands, calculation of the total absorption band area S _N and individual areas S _A and S _B1 and their normalization with respect to the total area of the diamond intrinsic absorption S ₀, with the normalization coefficients K _S , K _A , and K _B1 being calculated. Based on the analysis of the IR spectra of 60 octahedral diamond crystals from the Mir and Yubileinaya pipes (Sakha-Yakutiya), the empirical functions N _S = 911.85 K _S ^0.9919 ppm (R ² = 0.9859), N _A = 1185.6 K _A ^1.1511 ppm (R ² = 0.8703), and N _B1 = 911.85 K _S ^0.9919 ? 1185.6 K _A ^1.1511 ppm have been defined.