ALBERT

Description: The crystal structure of the rare mineral dalnegroite, Tl5-xPb2x(As,Sb)21-xS34 with x {approx} 1, was determined for a crystal from Lengenbach, Binn Valley, Switzerland. The structure is triclinic, space group P1, with a = 16.218(3), b = 42.546(7), c = 8.558(1) A, {alpha} = 95.70(4), {beta} = 90.18(3), {gamma} = 96.38(4){degrees}, V = 5838.9(9) A3, Z = 4. Refinement of an isotropic model led to an R1 index of 0.0536 for 22226 observed reflections and 980 parameters, and R1 = 0.0590 for all 25266 independent reflections. Although dalnegroite cannot be considered a layered compound, its structure can be usefully described as a regular alternation of two kinds of layers stacked along the b axis, with four layers in the unit cell: (1) a layer 7.8 A thick, at y {approx} 0.15 and 0.65, can be considered as derived from the SnS archetype; (2) a layer 13.6 A thick, at y {approx} 0.35 and 0.85, derived from the PbS archetype. Different chemical compositions, such as Tl:Pb and Sb:As ratios, for different samples belonging to the chabourneite-dalnegroite family could play a central role in controlling different degrees of order, leading to different superstructures.

Description: Fassinaite, ideally Pb2+2(S2O3)(CO3), is a new mineral from the Trentini mine, Mount Naro, Vicenza Province, Veneto, Italy (holotype locality). It is also reported from the Erasmus adit, Schwarzleo District, Leogang, Salzburg, Austria and the Friedrich-Christian mine, Schapbach, Black Forest, Baden-Württemberg, Germany (cotype localities). At the Italian type locality it occurs as acicular [010], colourless crystals up to 200 µm long, closely associated with galena, quartz and anglesite. At the Austrian cotype locality it is associated with cerussite, rare sulphur and very rare phosgenite. At the German cotype locality anglesite is the only associated phase. Fassinaite crystals commonly have flat chisel-shaped terminations. They are transparent with vitreous to adamantine lustre and a white streak. Fassinaite is brittle with an irregular fracture and no discernible cleavage; the estimated Mohs hardness is 1½–2. The calculated density for the type material is 6.084 g cm-3 (on the basis of the empirical formula), whereas the X-ray density is 5.947 g cm-3. In common with other natural lead thiosulphates (i.e. sidpietersite and steverustite) fassinaite has intense internal reflections, which do not allow satisfactory optical data to be collected; the crystals are length-slow and have very high birefringence. The mineral is not fluorescent.Fassinaite is orthorhombic, space group Pnma, with unit-cell parameters (for the holotype material) a = 16.320(2), b = 8.7616(6), c = 4.5809(7) Å, V = 655.0(1) Å3, a:b:c = 1.863:1:0.523, Z = 4. Single-crystal structural studies were carried out on crystals from all three localities: R1(F) values range between 0.0353 and 0.0596. The structure consists of rod-like arrangements of Pb-centred polyhedra that extend along the [010] direction. These ‘rods’ are linked, alternately, by (CO3)2- and (S2O3)2- groups. The (S2O3)2- groups point alternately left and right (in a projection on [001] with [010] set vertical) if the apex occupied by the S2- in the thiosulphate group is defined to be the atom giving the direction. The lead atoms are nine-coordinated by seven oxygen atoms and two sulphur (S2-) atoms. The eight strongest X-ray powder-diffraction lines [d in Å (I/I0) (hkl)] are: 4.410 (39) (101), 4.381 (59) (020), 4.080 (62) (400), 3.504 (75) (301), 3.108 (100) (121), 2.986 (82) (420), 2.952 (49) (221) and 2.736 (60) (321). Electron-microprobe analyses produce an empirical formula Pb2.01(1)(S1.82(2)O3)CO3 (on the basis of six oxygen atoms). The presence of both carbonate and thiosulphate groups was corroborated by Raman spectra, which are discussed in detail. Fassinaite is named after Bruno Fassina (b. 1943), an Italian mineral collector who discovered the mineral in 2009.

Description: A synthetic single crystal of pure orthoenstatite (MgSiO 3 , space group Pbca ) has been investigated at high pressure for structural determinations by in situ single-crystal X-ray diffraction using a diamond-anvil cell. Ten complete intensity data collections were performed up to 9.36 GPa. This study significantly improved the accuracy of structural parameters in comparison to a previous high-pressure structural study, allowing a more detailed examination of structural behavior of orthoenstatite at high pressures and a comparison to other more recent structural studies performed on orthopyroxenes with different compositions. The structural evolution determined in this work confirms the high-pressure evolution found previously for other orthopyroxenes and removes some ambiguities originating from the less accurate published data on the MgSiO 3 structure at high pressure. The structural compression is mostly governed by significant volume decrease of the Mg1 and Mg2 octahedra, affecting in turn the kink of the tetrahedral chains, especially the TB chain of larger SiO 4 tetrahedra. The Mg2 polyhedron undergoes the largest volume variation, 8.7%, due especially to the strong contraction of the longest bond distance (Mg2-O3B), whereas Mg1 polyhedral volume decreases by about 7.4%. The compressional behavior of the tetrahedral sites is quite different from previously published data. The TA and TB tetrahedral volumes decrease by about 2.8 and 1.8%, respectively, and no discontinuities can be observed in the pressure range investigated. Using the data on the pure orthoenstatite as reference, we can confirm the basic influences of element substitutions on the evolution of the crystal structure with pressure.

Description: Debattistiite, ideally Ag9Hg0.5As6S12Te2, is a new mineral (IMA-CNMNC 2011-098) from the Lengenbach quarry in the Binn Valley, Valais, Switzerland. It occurs as very rare tabular euhedral crystals up to 150 μm across in cavities in dolomitic marble, associated with realgar, rutile, trechmannite and hutchinsonite. Debattistiite is opaque with a metallic lustre and a grey streak. It is brittle; the Vickers hardness (VHN25) is 80 kg mm−2 (range: 65–94), corresponding to a Mohs hardness of 2–2½. In reflected light debattistiite is dark grey, highly bireflectant and weakly pleochroic from dark grey to a slightly greenish grey. Between crossed polars it is highly anisotropic with brownish to blue rotation tints. Internal reflections are absent. Reflectance percentages for the four COM wavelengths (Rmin and Rmax) are 27.2, 34.5 (471.1 nm), 25.5, 31.0 (548.3 nm), 22.9, 28.4 (586.6 nm), and 20.1, 25.2 (652.3 nm), respectively.Debattistiite is triclinic, space group P1İ, with a = 7.832(5), b = 8.606(4), c = 10.755(5) Å, α = 95.563(9), β = 95.880(5), γ = 116.79(4)°, V = 635.3(6) Å3 and Z = 1. The crystal structure [R1 = 0.0826 for 795 reflections with I 〉 2σ(I)] consists of corner-sharing AsS3 pyramids forming three-membered distorted rings linked by Ag atoms in triangular or tetrahedral coordination.The five strongest powder-diffraction lines [d in Å (I/I0) (hkl)] are as follows: 10.56 (6) (001); 3.301 (5) (2İ12); 2.991 (4) (21İ2); 2.742 (2İ1İ1) and 2.733 (10) (2İ30). A mean of nine electron microprobe analyses gave: Ag 44.88, Hg 4.49, As 20.77, S 17.72, Te 11.82; total 99.68 wt.%, which corresponds to Ag9.02Hg0.49As6.012S11.98Te2.01, on the basis of 29.5 atoms. The new mineral is named for Luca De Battisti, a systematic mineralogist and expert on the minerals of Lengenbach quarry.

Description: Three natural olivines with Fo80Fa20, Fo71Fa29, and Fo62Fa38 compositions were investigated in situ at high pressure by single-crystal X-ray diffraction using a diamond-anvil cell up to ~8 GPa at room temperature. The bulk modulus, KT0, and its first pressure derivative, K', do not show any significant variation among the compositions investigated and, using the data on a further sample with Fo92Fa8 composition recently investigated in the same laboratory and using the same experimental technique, we obtain, for the first time, a single equation of state for the entire Fo92Fa8-Fo62Fa38 compositional range. The equation has the following coefficients: KT0 = 124.7(9) GPa and K' = 5.3(3) and can be used for thermodynamic calculations involving the most common mantle olivine compositions.

Description: This work was carried out within the framework of the European Space Agency and Japanese Aerospace Exploration Agency BepiColombo space mission to Mercury and intends to provide valid tools for the interpretation of spectra acquired by the MErcury Radiometer and Thermal Infrared Spectrometer (MERTIS) on board of BepiColombo. Two C 2/ c augitic pyroxenes, with different Mg/Fe ratios and constant Ca contents, were investigated by in situ high-temperature thermal infrared spectroscopy and in situ high-temperature single-crystal X-ray diffraction up to temperatures of about 750 and 770 K, respectively. The emissivity spectra of the two samples show similar band center shifts of the main three bands toward lower wavenumbers with increasing temperature. In detail, with increasing temperature bands 1 and 2 of both samples show a much stronger shift with respect to band 3, which remains almost unchanged. Our results indicate that the center positions of bands 1 and 2 are strong functions of the temperature, whereas the center position of band 3 is a strong function of the Mg# [with Mg# = Mg/(Mg + Fe 2+ ) atomic ratio]. The analysis of the thermal behavior gives similar thermal expansion volume coefficients, α V , for the Mg-rich and Fe-rich samples, with α V = 2.72(8) and 2.72(7) x 10 –5 K –1 , respectively, using the Berman (1988) equation. This correspondence totally explains the band center shifts similarity between the two samples. Our data suggest that MERTIS spectra will be able to provide indications of C 2/ c augitic pyroxene Mg# and will allow a correct interpretation that is independent on the spectra acquisition temperature.

Description: The crystal structure of Fe2SiO4 spinel at room temperature was investigated at seven different pressures by X-ray diffraction, using a diamond anvil cell to examine the influence of Fe substitution on ringwoodite behaviour at high pressure. The results compared with those of a pure Mg endmember show that the substitution of Fe into the spinel structure causes only small changes in the compression rate of coordination polyhedra and the distortion of the octahedron. The data show that the compression rate for the octahedron and tetrahedron in (Mg,Fe)2SiO4 can be considered statistically equal for FeO6 and MgO6, as well as for SiO4 in both the endmembers. This shows why almost identical bulk moduli are reported along the solid solution in recent literature.