Tamuraite, Ir5Fe10S16, a New Species of Platinum-Group Mineral from the Sisim Placer Zone, Eastern Sayans, Russia

Tamuraite, ideally Ir5Fe10S16, occurs as discrete phases (≤20 μm) in composite inclusions hosted by grains of osmium (≤0.5 mm across) rich in Ir, in association with other platinum-group minerals in the River Ko deposit of the Sisim Placer Zone, southern Krasnoyarskiy Kray, Russia. In droplet-like inclusions, tamuraite is typically intergrown with Rh-rich pentlandite and Ir-bearing members of the laurite–erlichmanite series (up to ~20 mol.% “IrS2”). Tamuraite is gray to brownish gray in reflected light. It is opaque, with a metallic luster. Its bireflectance is very weak to absent. It is nonpleochroic to slightly pleochroic (grayish to light brown tints). It appears to be very weakly anisotropic. The calculated density is 6.30 g·cm−3. The results of six WDS analyses are Ir 29.30 (27.75–30.68), Rh 9.57 (8.46–10.71), Pt 1.85 (1.43–2.10), Ru 0.05 (0.02–0.07), Os 0.06 (0.03–0.13), Fe 13.09 (12.38–13.74), Ni 12.18 (11.78–13.12), Cu 6.30 (6.06–6.56), Co 0.06 (0.04–0.07), S 27.23 (26.14–27.89), for a total of 99.69 wt %. This composition corresponds to (Ir2.87Rh1.75Pt0.18Ru0.01Os0.01)Σ4.82(Fe4.41Ni3.90Cu1.87Co0.02)Σ10.20S15.98, calculated based on a total of 31 atoms per formula unit. The general formula is (Ir,Rh)5(Fe,Ni,Cu)10S16. Results of synchrotron micro-Laue diffraction studies indicate that tamuraite is trigonal. Its probable space group is R–3m (#166), and the unit-cell parameters are a = 7.073(1) Å, c = 34.277(8) Å, V = 1485(1) Å3, and Z = 3. The c:a ratio is 4.8462. The strongest eight peaks in the X-ray diffraction pattern [d in Å(hkl)(I)] are: 3.0106(26)(100), 1.7699(40)(71), 1.7583(2016)(65), 2.7994(205)(56), 2.9963(1010)(50), 5.7740(10)(45), 3.0534(20)(43) and 2.4948(208)(38). The crystal structure is derivative of pentlandite and related to that of oberthürite and torryweiserite. Tamuraite crystallized from a residual melt enriched in S, Fe, Ni, Cu, and Rh; these elements were incompatible in the Os–Ir alloy that nucleated in lode zones of chromitites in the Lysanskiy layered complex, Eastern Sayans, Russia. The name honors Nobumichi Tamura, senior scientist at the Advanced Light Source of the Lawrence Berkeley National Laboratory, Berkeley, California.

THE HISTORICAL BAZAARS AND SHOPPING ARCADES. POSSIBILITIES OF THEIR RENOVATION

Shopping arcades and bazaars are considered as the oldest and most common commercial buildings in Russia. The main periods of development of these buildings are investigated, and the most probable space-planning prototypes (Emporia, caravanserais, and others) are established. A typology of cellular commercial buildings is proposed. The objects are compared in the following areas: the nature of the layout, spatial solutions, stylistic directions. Domestic and foreign experience of adaptation is considered. Examples of the most interesting and diverse solutions for the modern use of cellular commercial buildings are given. The main directions of renovation of commercial buildings are proposed, such as functional, planning, spatial. Conclusions are drawn about the wide possibilities of modern use of such buildings. The most suitable functions are selected, including retail, catering, office, etc. The mixed function is highlighted as the most preferred. As a method for evaluating the proposed spatial planning solutions, it is proposed to rely on data from landscape and visual analysis. The optimal solution is selected for commercial buildings of different configurations: linear (functional and planning direction), semi-closed (development of internal space, landscaping, the possibility of organizing seasonal shopping and fair spaces) and closed (the same as for semi-closed, plus a solution for overlapping (full or partial) internal space). The historical and cultural value of bazaars and shopping arcades, the need to preserve them are proved.

Improved kinematic Precise Point Positioning performance with the use of map constraints

A positioning approach combining satellite measurements with a map representing the ground-truth trajectory is developed with the main objective of improving the availability of solutions for a mobile vehicle. For the positioning model, the Precise Point Positioning (PPP) technique is augmented with an alternative map-matching to find a probable space where the true vehicle or platform position is located. Then, by using a selection criterion based on the precise carrier phase residuals, the best candidate position within the space can be determined. This process provides an accurate initial position to the PPP filter, different from the standard PPP approach that relies on a point position using the less accurate pseudorange observables. A controlled experiment of a mobile receiver navigating over a pre-defined trajectory was conducted. The results show that the approach offers an instantaneous initial convergence, eliminating the re-convergences during two GNSS obstructions of 32 and 17 seconds, while constantly keeping the solution on the correct trajectory, even when tracking 3 to 2 satellites. This approach outperforms the standard PPP and RTK solutions in terms of convergences and re-convergences. These results are corroborated when comparing the average and standard deviation of residuals to the standard PPP model. For the pseudorange residuals, improvements of 17.5 cm and 24.3 cm in the average and standard deviation respectively were achieved. The carrier phase residuals standard deviation of the proposed approach was 3 cm better than that of the standard PPP.

Space Group Approximation of a Molecular Crystal by Classifying Molecules for Their Electric Potentials and Roughness on Their Inertial Ellipsoid Surface

In order to predict the most probable space group where a molecule crystallizes, it is assumed that molecular shape and electric potential distribution on the molecular surface are the main factors or predictors. However, to compare and classify molecules by these two factors seems to be very difficult for in general such different objects. Thus, in order to compare molecules, they are reduced to their inertial ellipsoid in which surface 26 equally spaced points were chosen where a roughness factor and an electric potential due to all atomic charges of the whole molecule are calculated. By this procedure, different molecules encoded by these two predictor vectors can be compared and classified, showing that molecules that crystallize in the same space group have more similar predictor vectors. This result opens the possibility to predict the more probable spatial group associated with a molecule.

Two types of adjacent dimer layers in the low-temperature phase of BaCuSi2O6

The low-temperature crystal structure of BaCuSi2O6has been investigated with high-resolution synchrotron x-ray and neutron powder diffraction techniques and has been found to be on average (ignoring the incommensurate modulation) orthorhombic, with the most probable space group Ibam. The Cu-Cu dimers in this material are forming two types of layers with distinctly different interatomic distances. Subtle changes also modify the partially frustrated interlayer Cu-Cu exchange paths. The present results corroborate the interpretation of low-temperature nuclear magnetic resonance and inelastic neutron scattering data in terms of distinct dimer layers. The experimentally determined low-temperature crystal structure of BaCuSi2O6is discussed in terms of its relation to the newer findings of theory and of the complementary experiments.

Dalnegroite, Tl5–xPb2x(As,Sb)2l–xS34, a new thallium sulphosalt from Lengenbach quarry, Binntal, Switzerland

Dalnegroite, ideally Tl4Pb2(As12Sb8)Σ20S34, is a new mineral from Lengenbach, Binntal, Switzerland. It occurs as anhedral to subhedral grains up to 200 μm across, closely associated with realgar, pyrite, Sb-rich seligmanite in a gangue of dolomite. Dalnegroite is opaque with a submetallic lustre and shows a brownish-red streak. It is brittle; the Vickers hardness (VHN25) is 87 kg mm-2(range: 69—101) (Mohs hardness ∼3—3½). In reflected light, dalnegroite is highly bireflectant and weakly pleochroic, from white to a slightly greenish-grey. In cross-polarized light, it is highly anisotropic with bluish to green rotation tints and red internal reflections.According to chemical and X-ray diffraction data, dalnegroite appears to be isotypic with chabournéite, Tl5-xPb2x(Sb,As)21-xS34. It is triclinic, probable space groupP1, witha= 16.217(7) Å,b= 42.544(9) Å,c= 8.557(4) Å, α = 95.72(4)°, β = 90.25(4)°, γ = 96.78(4)°,V= 5832(4) Å3,Z= 4.The nine strongest powder-diffraction lines [d(Å) (I/I0) (hkl)] are: 3.927 (100) (10 0); 3.775 (45) (22); 3.685 (45) (60); 3.620 (50) (440); 3.124 (50) (2); 2.929 (60) (42); 2.850 (70) (42); 2.579 (45) (02); 2.097 (60) (024). The mean of 11 electron microprobe analyses gave elemental concentrations as follows: Pb 10.09(1) wt.%, Tl 20.36(1), Sb 23.95(1), As 21.33(8), S 26.16(8), totalling 101.95 wt.%, corresponding to Tl4.15Pb2.03(As11.86Sb8.20)S34. The new mineral is named for Alberto Dal Negro, Professor in Mineralogy and Crystallography at the University of Padova since 1976.

Quantum Chemical Simulation of Relaxation and Thermally Stimulated Processes: a Vibration Excitation-relaxation Stochastic Optimization

A new method for theoretical examination of thermal inter-conversions via the space structure vibration excitation-relaxation stochastic optimization method has been proposed. The software to perform implementation of the methodology has been developed and tested on a silica 27SiO2 cluster. A set of thermodynamically probable space structures of amorphous silica particles and temperatures of their inter-conversions has been simulated. The simulated space structures have been verified by comparison of calculated inelastic neutron scattering spectra of different highly dispersed silicas with experimental ones.

Determination of six new polytypes in parisite-(Ce) by means of high resolution electron microscopy

The ultrastructures of parisite-(Ce) from a rare-earth mineral deposit of Sichuan Province, southwest China, have been observed and investigated by selected area electron diffraction (SAED) and high resolution electron microscopy (HREM). Six new polytypes 4H, 10H, 16H, 18R, 24R and 30R were determined in parisite-(Ce), as were their crystal structure types, subcell (a′c‴, a′c″, a′c′) and supercell (ac) parameters, reflection conditions, polytype features and probable space groups. The HREM studies revealed the complex polytypism in parisite-(Ce) whereby the six new polytypes, formed by long-period ordered stacking, always coexist with the common polytype parisite-(Ce)-6R by syntaxy and thus constitute the complex microstructural ‘syntactic polycrystals’, the host of which is the polytype parisite-(Ce)-6R.

Powder X-ray diffraction data for the new polymorphic compound ω-Bi2O3

A Bi2O3 compound which is unknown to date has been synthesized at 800 °C on a BeO substrate. α-Bi2O3 at 800 °C undergoes a phase transition to a metastable new compound named ω-Bi2O3 which in turn transforms to stable δ-Bi2O3 at 900 °C. X-ray powder diffraction data were collected, indexed, and refined in order to obtain a unit cell (probable space group P1¯: a=7.2688(4), b=8.6390(6), c=11.9698(8) Å, α=87.713(6), β=93.227(6), γ =86.653(4)°. This compound is of interest for the thick films circuits and sensors technology.

Synthesis and Structural Systematics of Nitrogen Base Adducts of Group 2 Salts. V. Some Complexes With 3-Azapentane-1,5-diamine

Syntheses and room-temperature single-crystal X-ray structural characterizations are recorded for an array of adducts of H2N(CN2)2NH(CH2)2NH2, ' dien ', with salts of Group 2 elements, MX2.n( dien ).[Mg( dien )2] Cl2 (1) is monoclinic, P 21/c, a 11.326(6), b 10.928(5), c 12.636(6) Ǻ, β 92.74(4)°, Z = 4 f.u .; R was 0.047 for No 1726 independent 'observed' (I > 3σ(I)) diffractometer reflections. [Mg( dien )2] Br2 (2) is monoclinic, P 21/c, a 9.541(7), b 14.55(1), c 11.894(8) Ǻ, β 100.42(5)°, Z = 4 f.u ., R 0.054 for No 1778. [Mg( dien )2] I2 (3) is isomorphous , a 9.969(2), b 14.907(2), c 12.300(3) Ǻ, β 100.02(2)°, R 0.039 for No 3180. In all three complexes, the two tridentate ligands are disposed mer in a six-coordinate MgN6 environment, the trans Mg-N(central) distances being somewhat shorter (2.161 (4)-2.181(9)Ǻ) than Mg-N(distal) (2.215(8)-2.249(4)Ǻ). [Ba(dien)3] Cl2 (4a) is orthorhombic, Pnaa , a 19.309(2), b 13.545(2), c 8.872(2)Ǻ, Z = 4 f.u ., R 0.055 for No 1070; the methanol disolvate (4b) is monoclinic, P 21/c, a 16.807(8), b 8.764(5), c 19.493(4) Ǻ, β 102.39(3)°, Z = 4 f.u ., R 0.11 for No 2613. A family of derivative structures (5)-(8), [M( dien )3] X2, M, X = Sr , Br (5), Sr , I(6), Ba , Br (7), Ba , I(8), have cells of half the volume (a ≈ 13.8, b ≈ 9, c ≈ 9.8 Ǻ), probable space group P21212, R 0.050, 0.061, 0.034, 0.037 for No 549, 914, 1044, 1801 respectively, with the cations disposed about crystallographic 2 axes with one disordered ligand . [ Ba( dien )3](ClO4)2 (9) is rhombohedral , R3c, a 10.240(2), c 45.19(1) Ǻ (hexagonal setting), Z = 6 f.u ., R 0.054 for No 508. Like (4)-(8), the barium environment is nine-coordinate with the three tridentate ligands here� disposed about a 3 axis through the metal.