The effect of slight to minor biodegradation on C<Subscript>6</Subscript> to C<Subscript>7</Subscript> light hydrocarbons in crude oils: a case study from Dawanqi Oilfield in the Tarim Basin,NW China

Light hydrocarbons (LHs) are one of the main petroleum fractions in crude oils, and carry much information regarding the genetic origin and alteration of crude oils. But secondary alterations—especially biodegradation—have a significant effect on the composition of LHs in crude oils. Because most of the LHs affected in oils underwent only slight biodegradation (rank 1 on the biodegradation scale), the variation of LHs can be used to describe more the refined features of biodegradation. Here, 23 crude oils from the Dawanqi Oilfield in the Tarim Basin, NW China, eleven of which have been biodegraded to different extents, were analyzed in order to investigate the effect of slight to minor biodegradation on C₆–C₇ LHs. The study results showed that biodegradation resulted in the prior depletion of straight-chained alkanes, followed by branched alkanes. In slight and minor biodegraded oils, such biodegradation scale could not sufficiently affect C₆–C₇ cycloalkanes. For branched C₆–C₇ alkanes, generally, monomethylalkanes are biodegraded earlier than dimethylalkanes and trimethylalkanes, which indicates that branched alkanes are more resistant to biodegradation, with the increase of substituted methyl groups on parent rings. The degree of alkylation is one of the primary controlling factors on the biodegradation of C₆–C₇ LHs. There is a particular case: although 2,2,3-trimethylbutane has a relative higher alkylation degree, 2,2-dimethylpentane is more resistant to biodegradation than 2,2,3-trimethylbutane. 2,2-Dimethylpentane is the most resistant to biodegradation in branched C₆–C₇ alkanes. Furthermore, the 2-methylpentane/3-methylpentane and 2-methylhexane/3-methylhexane ratios decreased steadily with increasing biodegradation, which implies that isomers of bilateral methyl groups are more prone to bacterial attack relative to mid-chain isomers. The position of the alkyls on the carbon skeleton is also one of the critical factors controlling the rate of biodegradation. With increasing biodegradation, Mango’s LH parameters K1 values decrease and K2 values increase, the values of n-heptane and isoheptane decrease, and the indices of methylcyclohexane and cyclohexane increase. LH parameters should be applied cautiously for the biodegraded oils. Because biodegraded samples belong to slight or minor biodegraded oils, the values of n-heptane and isoheptane from Dawanqi Oilfield can better reflect and determine the “Biodegraded” zone. When the heptane value is 0–21 and the isoheptane value is 0–2.6, the crude oil in Dawanqi Oilfield is defined as the “Biodegraded” zone.     

Synthesis,TEM characterization and thermal behaviour of LiNiSi<Subscript>2</Subscript>O<Subscript>6</Subscript> pyroxene

A pyroxene with composition LiNiSi₂O₆ was synthesized at T = 1,473 K and P = 2.0 GPa; the cell parameters at T = 298 K are a = 9.4169(6) Å, b = 8.4465(7) Å, c = 5.2464(3) Å, β = 110.534(6)°, V = 390.78(3) Å³. TEM examination of the LiNiSi₂O₆ pyroxene showed the presence of h + k odd reflections indicative of a primitive lattice, and of antiphase domains obtained by dark field imaging of the h + k odd reflections. A HT in situ investigation was performed by examining TEM selected area diffraction patterns collected at high temperature and synchrotron radiation powder diffraction. In HTTEM the LiNiSi₂O₆ was examined together with LiCrSi₂O₆ pyroxene. In LiCrSi₂O₆ the h + k odd critical reflections disappear at about 340 K; they are sharp up to the transition temperature and do not change their shape until they disappear. In LiNiSi₂O₆ the h + k odd reflections are present up to sample deterioration at 650 K. A high temperature synchrotron radiation powder diffraction investigation was performed on LiNiSi₂O₆ between 298 and 773 K. The analysis of critical reflections and of changes in cell parameters shows that the space group is P-centred up to the highest temperature. The comparative analysis of the thermal and spontaneous strain contributions in P2₁/c and C2/c pyroxenes indicates that the high temperature strain in P-LiNiSi₂O₆ is very similar to that due to thermal strain only in C2/c spodumene and that a spontaneous strain contribution related to pre-transition features is not apparent in LiNiSi₂O₆. A different high-temperature behaviour in LiNiSi₂O₆ with respect to other pyroxenes is suggested, possibly in relation with the presence of Jahn–Teller distortion of the M1 polyhedron centred by low-spin Ni³⁺.     

Soil bacterial strains with heavy metal resistance and high potential in degrading diesel oil and <Emphasis Type="Italic">n</Emphasis>-alkanes

Four bacterial strains, capable of degrading diesel oil, n-alkanes or hexadecane, were isolated from soils contaminated with petroleum oil and identified. Strains of Pseudomonas sp., Pseudomonas putida TPHK-1 and Pseudomonas aeruginosa TPHK-4, were more efficient in degrading high concentrations of the hydrocarbons than the other two strains, Stenotrophomonas maltophilia TPHK-2 and Acenitobacter sp. TPHK-3. P. putida TPHK-1 exhibited tolerance to very high concentrations of heavy metals such as cadmium, lead, zinc and copper. The innate ability of P. putida TPHK-1, as evidenced by the amplified genes alkB1 and alkB2 that encode alkane hydroxylases, and cat12o and cat23o coding for catechol dioxygenase, in degrading diesel oil in the presence of heavy metals is far greater than that of the strains reported in the literature. Heavy metal tolerance coupled with rapid degradation of hydrocarbons, even at high concentrations, suggests that P. putida TPHK-1 has a great potential in remediating soils contaminated with mixtures of hydrocarbons and heavy metals.     

Evaluation of the use of legumes for biodegradation of petroleum hydrocarbons in soil

The aim of this research was to evaluate the potential of six legumes: Medicago sativa L., Glycine max, Arachis hypogea, Lablab purpureus, Pheseolus vulgaris and Cajanus cajan to restore within a short period of time soil contaminated with 3% crude oil. The legumes in five replications were grown in crude oil-contaminated and crude oil-uncontaminated soil in a completely randomized design. Plants were assessed for seedling emergence, plant height and leaf number. GC–MS was used to analyze the residual crude oil from the rhizosphere of the legumes. Plant growth parameters were reduced significantly (P < 0.05) for legumes in contaminated soil compared to their controls. In the 4th week after planting (WAP), shoot height increased across the species up to the 8th WAP. However, in the 12 WAP no significant increase in the shoot of all species was observed. Two WAP legumes planted in contaminated soil had significantly (P < 0.05) higher leaf number than these planted in uncontaminated soil with the exception of M. sativa. In the 4th WAP, only A. hypogea and P. vulgaris had increased leaf number, while in the 6th WAP, only L. purpureus had increased leaf number and survived up to the 12th WAP while most of the legumes species died. Chromatographic profiles indicated 100% degradation of the oil fractions in C. cajan and L. purpureus after 90 days. For other legumes however, greater losses of crude oil fractions C₁–C₁₀ and C₁₀–C₂₀ were indicated in rhizosphere soil of P. vulgaris and G. max, respectively. The most effective removal (93.66%) of C₂₁–C₃₀ components was observed in G. max-planted soil even though vegetation was not established. The legumes especially C. cajan, L. purpureus and A. hypogea are promising candidates for phytoremediation of petroleum hydrocarbon-impacted soil.     

Isolation of <Emphasis Type="Italic">Bacillus cereus</Emphasis> from botanical soil and subsequent biodegradation of waste engine oil

Waste engine oil causes a vital environmental pollution when it spill during change and transportation and products of waste engine oil causes lethal effects to the living systems. Thus, abiotic and biotic approaches are being extensively used for removal of waste engine oil pollution. Therefore in present study, waste engine oil degradation was accomplished by a new bacterial culture, isolated from the soil by an enrichment technique. Morphological, biochemical and gene sequence analysis revealed that isolate was Bacillus cereus. Subsequently, biodegradation potential of B. cereus for waste engine oil was studied. Experimental variables, such as pH, substrate concentration, inoculum size, temperature and time on the biodegradation, were checked in mineral salt medium. The biodegradation efficiency of B. cereus was determined by gravimetry, UV–visible spectrophotometry and gas chromatography. In addition, waste engine oil was also characterized by GC–MS and FTIR for its major constituents, which showed total 38 components in waste engine oil, including hopanes, benzopyrene, long-chain aliphatic hydrocarbons, dibenzothiophenes, biphenyl and their derivatives. Results of successive biodegradation indicated that B. cereus was capable to degrade 1% of waste engine oil with 98.6% degradation potential at pH 7 within 20 days. Hence, B. cereus presents an innovative tool for removing the engine oil from the contaminated area.     

Comparison of the magnetic properties of leading and following spots and the overlying ultraviolet emission

SDO/HMI and SDO/AIA data for the 24th solar-activity cycle are analyzed using a quicker and more accurate method for resolving π ambiguities in the transverse component of the photospheric magnetic field, yielding new results and confirming some earlier results on the magnetic properties of leading and following magnetically connected spots and single spots. The minimum inclination of the field lines to the positive normal to the solar surface α _min within umbrae is smaller in leading than in following spots in 78% of the spot pairs considered; the same trend is found for the mean angle 〈α〉 in 83% of the spot pairs. Positive correlations between the α _min values and the 〈α〉 values in leading and following spots are also found. On average, in umbrae, the mean values of 〈B〉, the umbra area S, and the angles α _min and 〈α〉 decrease with growth in the maximum magnetic field B _max in both leading and following spots. The presence of a positive correlation between B _max and S is confirmed, and a positive correlation between 〈B〉 and S in leading and following spots has been found. Themagnetic properties of the umbrae of magnetically connected pairs of spots are compared with the contrast of the He II 304 emission above the umbrae, C ₃₀₄. Spots satisfying certain conditions display a positive correlation between C _304?L and 〈α _L 〉 for the leading (L) spots, and between C _304?L /C _304?F and l _L /l _F , where l _L (l _F ) are the lengths of the field lines connecting leading (L) or following (F) spots from the corresponding spot umbrae to the apex of the field line.     

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.     

High-pressure displacive phase transition of a natural Mg-rich pigeonite

A high-pressure single-crystal X-ray diffraction study has been carried out on a P2₁/c natural Mg-rich pigeonite sample with composition ca. Wo₆En₇₆Fs₁₈ using a diamond anvil-cell. The unit-cell parameters were determined at 14 different pressures to 7.14 GPa. The sudden disappearance of the b-type reflections (h + k = odd) and a strong discontinuity (about 2.8%) in the unit-cell volume indicated a first-order P2₁/c–C2/c phase transition between 4.66 and 4.88 GPa. The P(V) data of the P2₁/c phase were fitted to 4.66 GPa by a third-order Birch–Murnaghan equation of state (BM3 EoS), whereas the limited number of experimental data collected within the C2/c phase between 4.88 and 7.14 GPa were fitted using the same equation of state but with K′ constrained to the value obtained for the P2₁/c fitting. The equation of state coefficients are V ₀ = 424.66(6) ų, K _T0 = 104(2) GPa and K′ = 8(1) for the P2₁/c phase, and V ₀ = 423.6(1) ų, K _T0 = 112.4(8) GPa, and K′ fixed to 8(1) for the C2/c phase. The axial moduli for a, b, and c for the P2₁/c phase were obtained using also a BM3-EoS, while for the C2/c phase only a linear calculation could be performed, and therefore the same approach was applied for comparison also to the P2₁/c phase. In general the C2/c phase exhibits axial compressibilities (β _c > β _a >> β _b) lower than those of the P2₁/c phase (β _b > β _c ≈ β _a; similar to those found in previous studies in clinopyroxenes and orthopyroxenes). The lower compressibility of the C2/c phase compared with that of the P2₁/c could be ascribed to the greater stiffness along the b direction. A previously published relationship between P _c and M2 average cation radius (i.r.) has been updated using all the literature data on P2₁/c clinopyroxene containing large cations at M2 site and our new data. The following weighted regression was obtained: P _c (GPa) = 26(4) ? 28(5) ×  i.r (Å), R ² = 0.97. This improved equation can be used to predict the critical pressure of natural P2₁/c clinopyroxene samples just knowing the composition at M2 site.     

Stability at high-pressure,elastic behaviour and pressure-induced structural evolution of CsAlSi<Subscript>5</Subscript>O<Subscript>12</Subscript>, a potential host for nuclear waste

The elastic and structural behaviour of the synthetic zeolite CsAlSi₅O₁₂ (a = 16.753(4), b = 13.797(3) and c = 5.0235(17) Å, space group Ama2, Z = 2) were investigated up to 8.5 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase-transition occurs within the P-range investigated. Fitting the volume data with a third-order Birch–Murnaghan equation-of-state gives: V ₀ = 1,155(4) ų, K _T0 = 20(1) GPa and K′ = 6.5(7). The “axial moduli” were calculated with a third-order “linearized” BM-EoS, substituting the cube of the individual lattice parameter (a ³, b ³, c ³) for the volume. The refined axial-EoS parameters are: a ₀ = 16.701(44) Å, K _T0a = 14(2) GPa (β_a = 0.024(3) GPa^?1), K′ _a = 6.2(8) for the a-axis; b ₀ = 13.778(20) Å, K _T0b = 21(3) GPa (β_b = 0.016(2) GPa^?1), K′ _b = 10(2) for the b-axis; c ₀ = 5.018(7) Å, K _T0c = 33(3) GPa (β_c = 0.010(1) GPa^?1), K′ _c = 3.2(8) for the c-axis (K _T0a:K _T0b:K _T0c = 1:1.50:2.36). The HP-crystal structure evolution was studied on the basis of several structural refinements at different pressures: 0.0001 GPa (with crystal in DAC without any pressure medium), 1.58(3), 1.75(4), 1.94(6), 3.25(4), 4.69(5), 7.36(6), 8.45(5) and 0.0001 GPa (after decompression). The main deformation mechanisms at high-pressure are basically driven by tetrahedral tilting, the tetrahedra behaving as rigid-units. A change in the compressional mechanisms was observed at P ≤ 2 GPa. The P-induced structural rearrangement up to 8.5 GPa is completely reversible. The high thermo-elastic stability of CsAlSi₅O_12, the immobility of Cs at HT/HP-conditions, the preservation of crystallinity at least up to 8.5 GPa and 1,000°C in elastic regime and the extremely low leaching rate of Cs from CsAlSi₅O₁₂ allow to consider this open-framework silicate as functional material potentially usable for fixation and deposition of Cs radioisotopes.     

High-pressure phase transitions of CaRhO<Subscript>3</Subscript> perovskite

High-pressure phase transitions of CaRhO₃ perovskite were examined at pressures of 6–27 GPa and temperatures of 1,000–1,930°C, using a multi-anvil apparatus. The results indicate that CaRhO₃ perovskite successively transforms to two new high-pressure phases with increasing pressure. Rietveld analysis of powder X-ray diffraction data indicated that, in the two new phases, the phase stable at higher pressure possesses the CaIrO₃-type post-perovskite structure (space group Cmcm) with lattice parameters: a = 3.1013(1) Å, b = 9.8555(2) Å, c = 7.2643(1) Å, V _m  = 33.43(1) cm³/mol. The Rietveld analysis also indicated that CaRhO₃ perovskite has the GdFeO₃-type structure (space group Pnma) with lattice parameters: a = 5.5631(1) Å, b = 7.6308(1) Å, c = 5.3267(1) Å, V _m  = 34.04(1) cm³/mol. The third phase stable in the intermediate P, T conditions between perovskite and post-perovskite has monoclinic symmetry with the cell parameters: a = 12.490(3) Å, b = 3.1233(3) Å, c = 8.8630(7) Å, β = 103.96(1)°, V _m  = 33.66(1) cm³/mol (Z = 6). Molar volume changes from perovskite to the intermediate phase and from the intermediate phase to post-perovskite are –1.1 and –0.7%, respectively. The equilibrium phase relations determined indicate that the boundary slopes are large positive values: 29 ± 2 MPa/K for the perovskite—intermediate phase transition and 62 ± 6 MPa/K for the intermediate phase—post-perovskite transition. The structural features of the CaRhO₃ intermediate phase suggest that the phase has edge-sharing RhO₆ octahedra and may have an intermediate structure between perovskite and post-perovskite.     

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.     

Separation of chemical elements in the atmospheres of CP stars under the action of light induced drift

A mechanism for the separation of chemical elements and isotopes in the atmospheres of chemically peculiar (CP) stars due to light-induced drift (LID) of ions is discussed. The efficiency of separation due to LID is proportional to the relative difference of the transport frequencies for collisions of ions of heavy elements located in the excited state (collision frequency ν _e ) and ground state (collision frequency ν _g ) with neutral buffer particles (hydrogen and helium), (ν _e ? ν _g )/ν _g . The known interaction potentials are used to numerically compute the relative difference (ν _e ^H ? ν _g ^H )/νg H for collisions between the ions Be⁺, Mg⁺, Ca⁺, Sr⁺, Cd⁺, Ba⁺, Al⁺, and C⁺ and hydrogen atoms. These computations show that, at the temperatures characteristic of the atmospheres of CP stars, T = 7000?20 000 K, values of |ν _e ^H ?ν _g ^H |/ν _g ^H ≈ 0.1?0.4 are obtained. With such relative differences in the transport collision frequencies, the LID rate of ions in the atmospheres of coolCP stars (T < 10000 K) can reach ~0.1 cm/s,which exceeds the drift rate due to light pressure by an order of magnitude. This means that, under these conditions, the separation of chemical elements under the action of LID of ions could be an order of magnitude more efficient than separation due to light pressure. Roughly the same manifestations of LID and light pressure are also expected in the atmospheres of hotter stars (20 000 > T > 10 000 K). LID of heavy ions is manifest only weakly in very hot stars (T > 20 000 K).     

Biodegradation of ortho-dimethyl phthalate by a binary culture of <Emphasis Type="Italic">Variovorax</Emphasis> sp. BS1 and <Emphasis Type="Italic">Achromobacter denitrificans</Emphasis>

Binary mixture of Variovorax sp. BS1 and Achromobacter denitrificans degraded >99 % of 300 mg l^?1 of ortho-dimethyl phthalate (DMP) within 24 h of incubation at 30 °C. Rate of degradation of DMP followed the order: A. denitrificans > binary mixture > Variovorax sp. BS1. Transient intermediate metabolites were not detected using HPLC analyses at any time points using Variovorax sp. BS1 and binary mixture. However, using pure culture of A. denitrificans, monomethyl phthalate was accumulated during the course of DMP biodegradation which disappeared with time of incubation. Binary mixture of Variovorax sp. BS1 and A. denitrificans exhibited better efficiency in terms of biodegradation of DMP as compared to either individual bacterial strain. In addition, fluorescence in situ hybridization technique was used to estimate the population dynamics of Variovorax sp. BS1 in binary mixture. A. denitrificans in mixed culture were estimated by subtracting total number of cells of Variovorax sp. BS1 from the total counts of microbial cells using an epifluorescence microscope after staining with 4′,6-diamidino-2-phenylindole. Results obtained at mid-exponential growth phase suggested the abundance of both bacterial strains as primary degraders.     

New insights on pressure,temperature, and chemical stability of CsAlSi<Subscript>5</Subscript>O<Subscript>12</Subscript>, a potential host for nuclear waste

A Cs-bearing polyphase aggregate with composition (in wt%): 76(1)_CsAlSi5O12 + 7(1)_CsAlSi2O6 + 17(1)_amorphous, was obtained from a clinoptilolite-rich epiclastic rock after a beneficiation process of the starting material (aimed to increase the fraction of zeolite to 90 wt%), cation exchange and then thermal treatment. CsAlSi₅O₁₂ is an open-framework compound with CAS topology; CsAlSi₂O₆ is a pollucite-like material with ANA topology. The thermal stability of this polyphase material was investigated by in situ high-T X-ray powder diffraction, the combined P–T effects by a series of runs with a single-stage piston cylinder apparatus, and its chemical stability following the “availability test” (“AVA test”) protocol. A series of additional investigations were performed by WDS–electron microprobe analysis in order to describe the P–T-induced modification of the material texture, and to chemically characterize the starting material and the run products. The “AVA tests” of the polyphase aggregate show an extremely modest release of Cs⁺: 0.05 mg/g. In response to applied temperature and at room P, CsAlSi₅O₁₂ experiences an unquenchable and displacive Ama2-to-Amam phase transition at about 770 K, and the Amam polymorph is stable in its crystalline form up to 1600 K; a crystalline-to-amorphous phase transition occurs between 1600 and 1650 K. In response to the applied P = 0.5 GPa, the crystalline-to-amorphous transition of CsAlSi₅O₁₂ occurs between 1670 and 1770 K. This leads to a positive Clapeyron slope (i.e., dP/dT > 0) of the crystalline-to-amorphous transition. When the polyphase aggregate is subjected at P = 0.5 GPa and T > 1770 K, CsAlSi₅O₁₂ melts and only CsAlSi₂O₆ (pollucite-like; dominant) and Cs-rich glass (subordinate) are observed in the quenched sample. Based on its thermo-elastic behavior, P–T phase stability fields, and Cs⁺ retention capacity, CsAlSi₅O₁₂ is a possible candidate for use in the immobilization of radioactive isotopes of Cs, or as potential solid hosts for ¹³⁷Cs γ-radiation source in sterilization applications. More in general, even the CsAlSi₅O₁₂-rich aggregate obtained by a clinoptilolite-rich epiclastic rock appears to be suitable for this type of utilizations.     

Investigation into the change of the porosity parameter during transition from laboratory to reservoir conditions

The purpose of the investigation is to reveal the dependences of P _p = f(C _p) on reservoir conditions and the lithological composition of rocks. The samples were studied using a set of lithological-petrographic investigations. To obtain the dependences on thermobaric conditions, 90 samples of different porosities (C _p) of 15, 20, and 25% were collected. As a result, the general pattern of the change in the rock resistivity during the transition from atmospheric conditions of measuring to reservoir conditions was established. Dependences of porosity parameter P _p on porosity coefficient C _p were obtained for three values of formation water salinity and three reservoir conditions. The measurement errors of the porosity parameter P _p were calculated using dependences obtained under atmospheric conditions.     

Crystal chemistry of natural and synthetic lead oxyhalides. Part I. Crystal structure of Pb<Subscript>13</Subscript>O<Subscript>10</Subscript>Cl<Subscript>6</Subscript>

Crystals of lead oxychloride Pb₁₃O₁₀Cl₆ have been synthesized on the basis of high-temperature solid-state reactions. The Pb₁₃O₁₀Cl₆ structure was studied using X-ray single-crystal diffraction analysis. The compound is monoclinic, and the space group is C2/c; the unit-cell dimensions are a = 16.1699(14), b = 7.0086(6), c = 23.578(2) Å, β = 97.75°, and V = 2647.6(4) ų. The structure has been solved by direct methods and refined to R ₁ = 0.0505 for 2671 observed unique reflections. The structure is a 3D framework consisting of OPb₄ tetrahedrons. Chlorine atoms are located in the framework channels. The structure contains seven symmetrically independent Pb atoms, which are coordinated by 2 to 4 O^2? and 2 to 4 Cl^? anions. The synthesized compound is compared with other natural and synthetic lead oxyhalides.     

Radial pulsations of helium stars and a model for BX CIR

The results of hydrodynamical calculations of radially pulsating helium stars with masses 0.5M_⊙≤M≤0.9M_⊙, bolometric luminosities 600L_⊙≤5×10³L_⊙, and effective temperatures 1.5×10⁴ K≤T_eff≤3.5×10⁴ K are presented. The pulsation instability of these stars is due to the effects of ionization of iron-group elements in layers with temperatures T～2×10⁵ K. The calculations were carried out using opacities for the relative mass abundances of hydrogen and heavy elements X=0 and Z=0.01, 0.015, and 0.02. Approximate formulas for the pulsation constant Q over the entire range of pulsation instability of the hot helium stars in terms of the mass M, radius R, effective temperature T_eff, and heavy-element abundance Z are derived. The instability of BX Cir to radial pulsations with the observed period Π=0.1066 d occurs only for a mass M≥0.55M_⊙, effective temperature T_eff≥23000 K, and heavy-element abundance Z≥0.015. The allowed mass of BX Cir is in the range 0.55M_⊙≤M≤0.8M_⊙, which corresponds to luminosities 800L_⊙≤M≤1400L_⊙ and mean radii 1.7R_⊙?R?2.1R_⊙.     

Crystal chemistry of selenates with mineral-like structures: VIII. Butlerite chains in the structure of K(UO<Subscript>2</Subscript>)(SeO<Subscript>4</Subscript>)(OH)(H<Subscript>2</Subscript>O)

A new potassium uranyl selenate compound K(UO₂)(SeO₄)(OH)(H₂O) has been synthesized for the first time using the technique of evaporation from water solution. Its crystal structure has been solved by direct methods (monoclinic, P2₁/c,a = 8.0413(9) Å, b = 8.0362(9) Å, c = 11.6032(14) Å, β = 106.925(2)°, V = 717.34(14) ų) and refined to R ₁ = 0.0319 (wR ₂ = 0.0824) for 1285 reflections with |F ₀| > 4σ _F . The structure consists of [(UO₂(SeO₄)(OH)(H₂O)]^? chains extending along axis b. In the chains, the uranyl pentagonal bipyramids are linked via bridged hydroxyl anions and tetrahedral oxoanions [SeO₄]^2?. Potassium ions are situated between these chains. No chains of that type have been observed in uranyl compounds earlier, but they had been detected in the structures of butlerite, parabutlerite, uklonskovite, fibroferrite, and a number of synthetic compounds.     

Elastic behavior of vanadinite,Pb<Subscript>10</Subscript>(VO<Subscript>4</Subscript>)<Subscript>6</Subscript>Cl<Subscript>2</Subscript>, a microporous non-zeolitic mineral

The high-pressure behavior of a vanadinite (Pb₁₀(VO₄)₆Cl₂, a = b = 10.3254(5), c = 7.3450(4) Å, space group P6₃/m), a natural microporous mineral, has been investigated using in-situ HP-synchrotron X-ray powder diffraction up to 7.67 GPa with a diamond anvil cell under hydrostatic conditions. No phase transition has been observed within the pressure range investigated. Axial and volume isothermal Equations of State (EoS) of vanadinite were determined. Fitting the P–V data with a third-order Birch-Murnaghan (BM) EoS, using the data weighted by the uncertainties in P and V, we obtained: V ₀ = 681(1) Å³, K ₀ = 41(5) GPa, and K′ = 12.5(2.5). The evolution of the lattice constants with P shows a strong anisotropic compression pattern. The axial bulk moduli were calculated with a third-order “linearized” BM-EoS. The EoS parameters are: a ₀ = 10.3302(2) Å, K ₀(a) = 35(2) GPa and K′(a) = 10(1) for the a-axis; c ₀ = 7.3520(3) Å, K ₀(c) = 98(4) GPa, and K′(c) = 9(2) for the c-axis (K ₀(a):K ₀(c) = 1:2.80). Axial and volume Eulerian-finite strain (fe) at different normalized stress (Fe) were calculated. The weighted linear regression through the data points yields the following intercept values: Fe _a (0) = 35(2) GPa for the a-axis, Fe _c (0) = 98(4) GPa for the c-axis and Fe _V (0) = 45(2) GPa for the unit-cell volume. The slope of the regression lines gives rise to K′ values of 10(1) for the a-axis, 9(2) for the c-axis and 11(1) for the unit cell-volume. A comparison between the HP-elastic response of vanadinite and the iso-structural apatite is carried out. The possible reasons of the elastic anisotropy are discussed.