The new mineral oskarssonite (IMA2012-088), with ideal formula AlF3, was found in August 2009 at the surface of fumaroles on the Eldfell volcano, Heimaey Island, Iceland (GPS coordinates 63°25′58.9″N 20°14′50.3″W). It occurs as sub-micron-sized crystals forming a white powder in association with anhydrite, bassanite, gypsum, jarosite, anatase, hematite, opal, ralstonite, jakobssonite and meniaylovite. Chemical analyses by energy-dispersive spectrometry with a scanning electronmicroscope produced the following mean elemental composition: Al, 31.70; F, 58.41; O, 9.22; total 99.33 wt.%. The empirical chemical formula is AlF2.6(OH)0.5 which suggests partial substitution of F by OH. Oskarssonite is rhombohedral, space group Rc, with ah = 4.9817(4) Å, c = 12.387(1) Å, Vuc = 266.23(5) Å3, Z = 6. The five strongest lines in the powder diffraction diagram [d in Å(I) (hkl)] are as follows: 3.54 (100) (012), 2.131 (13) (113), 1.771 (20) (024), 1.59 (15) (116), 1.574 (10) (122). Rietveld refinement confirms the identity of oskarssonite with the synthetic rhombohedral form of AlF3. Its structure can be described as a rhombohedral deformation of the idealized cubic perovskitetype octahedral framework of corner-sharing AlF6 groups. Oskarssonite appears in the surface part of the fumaroles where fluorides are abundant. At greater depths (below 10 cm) sulfates dominate among the fumarolic minerals. In accordance with its occurrence, we surmise that oskarssonite forms in the later stages of the fumarolic activity in an environment poor in alkalies and Mg. Ralstonite (NaxMgxAl1−xF3(H2O)y), which, unlike oskarssonite, contains Na and Mg as important constituents, dominated in the first-formed fumaroles, but now, 41 years after the eruption of Eldfell, is only a minor phase. The new mineral is named after the Icelandic volcanologist Niels Oskarsson.

Ultramafic rocks, such as the Semail Ophiolite in the Sultanate of Oman, are considered to be a potential storage site for CO2. This type of rock is rich in divalent cations that can react with dissolved CO2 and form carbonate minerals, which remain stable over geological periods of time. Dissolution of the ophiolite mobilizes heavy metals, which can threaten the safety of surface and groundwater supplies but secondary phases, such as iron oxides, clays and carbonate minerals, can take up significant quantities of trace elements both in their structure and adsorbed on their surfaces.

Hyperalkaline spring waters issuing from the Semail Ophiolites can have pH as high as 12. This water absorbs CO2 from air, forming carbonate mineral precipitates either as thin crusts on the surface of placid water pools or bottom precipitates in turbulent waters. We investigated the composition of the spring water and the precipitates to determine the extent of trace element uptake. We collected water and travertine samples from two alkaline springs of the Semail Ophiolite. Twenty seven elements were detected in the spring waters. The bulk of the precipitate was CaCO3 in aragonite, as needles, and rhombohedral calcite crystals. Traces of dypingite (Mg5(CO3)4(OH)2·5H2O) and antigorite ((Mg,Fe)3Si2O5(OH)4) were also detected. The bulk precipitate contained rare earth elements and toxic metals, such as As, Ba, Cd, Sr and Pb, which indicated scavenging by the carbonate minerals. Boron and mercury were detected in the spring water but not in the carbonate phases. The results provide confidence that many of the toxic metals released by ophiolite dissolution in an engineered CO2 injection project would be taken up by secondary phases, minimizing risk to water quality.

Balićžunićite, ideally Bi2O(SO4)2, is a new mineral found as a high-temperature fumarole sublimate (T = 600°C) at La Fossa crater, Vulcano, Aeolian Islands, Italy. It occurs as aggregates of mm-sized prismatic and elongated crystals (∼50 μm across and up to 200 μm long) associated with anglesite, leguernite, one other potentially new Bi-oxysulfate mineral, lillianite, galenobismutite, bismoclite, Cd-rich sphalerite, wurtzite, pyrite and pyrrhotite. Balićžunićite is colourless to white or pale brown, transparent and non-fluorescent. It has a vitreous lustre and a white streak. Electron microprobe analysis gives the following average chemical composition (wt.%): Bi2O3 68.68 and SO3 23.73, total 92.41. The empirical chemical formula, calculated on the basis of 9 anions p.f.u., is Bi1.99S2O9. The calculated density is 5.911 g/cm3.

Balićžunićite is triclinic, space group P , with a 6.7386(3), b 11.1844(5), c 14.1754(7) Å, α 80.082(2)°, β 88.462(2)°, γ 89.517(2)°, V = 1052.01(8) Å3 and Z = 6. The six strongest reflections in the X-ray powder-diffraction data [d in Å(I) (hkl)] are: 3.146 (100) (033), 3.486 (21) (004), 3.409 (12) (01), 3.366 (7) (200), 5.562 (4) (11), 5.433 (4) (111). Balićžunićite is the natural analogue of the stable low-temperature a form of synthetic Bi2O(SO4)2. The name is in honour of Tonci Balić-Žunić(born 1952), Professor of Mineralogy at the Natural History Museum of the University of Cophenagen. Both the mineral and the mineral name have been approved by the IMA-CNMNC Commission (IMA2012-098).

A suite of sheared syenites occurring along the western margin of the Eastern Ghats Belt, India have developed extensive flame perthite in K-feldspar. Albite flames show large variation in size, shape and abundance. Field, petrographic and chemical evidence suggests complex interplay between differential stress, recycling of K-Na-Ca and supply of Na by infiltration for the development of flame perthite. Partial replacement of pyroxenes, plagioclase and alkali feldspar by amphibole, biotite, nepheline and calcite causes internal recycling of Na-Ca-K in a closed system. Representative compositions of the minerals are used to constrain the model dissolution–reprecipitation ion-exchange reactions involving Na and K either as reactants and/or as products. A substantial proportion of Na+ required for the development of the albite flames, originates from Na metasomatism accompanied by ductile shearing in the feldspathic rocks, providing an ideal open system wherein both the differential stress and Na+ are made available for the development of the flame perthites. This process probably augmented the replacement of K-feldspar grains by flame albite and the K+ released was carried away by the fluid or, possibly, augmented the biotite-forming reactions in the associated quartz-poor syenites and, hence, trigger the Na-K cycle in these rocks.

In ferroelastic materials, the existence of degenerate strain states leads to the formation of nanoscale microstructures, such as domain boundaries (twin walls) and tweed. As the symmetry properties of microstructures differ from those of the bulk, they may dramatically change the macroscopic properties of a crystal. In addition, they are likely to have functional properties (ferroelecricity, piezoelectricity, magnetism, conductivity and rapid chemical transport) that are absent in the bulk. The existence of functional properties of twin walls, along with the advances in nano-scale characterization, has opened the door to domain boundary engineering, which aims to use domain boundaries as active elements in device materials. Hence, this relatively new field puts ferroelastic twin walls and possibly tweed at the heart of future electronic devices. Ferroelasticity is very common among minerals. Similar to manmade materials, the same crystallographic principles apply, which means that there are many minerals that await discovery for their functional properties. Thus, this review aims to raise attention to the discovery of minerals with functional microstructures. The current development of functional twin boundaries and tweed structures in physics and materials sciences is compared with the traditional observation of such structures in minerals. With an emphasis on chemical transport and piezoelectric/ ferroelectric behaviour, examples of functional microstructures are given from both man-made materials and minerals in addition to a discussion of the origin of polar twin walls and the introduction of a recent experimental technique, resonant piezoelectric spectroscopy (RPS), for their discovery.

Wakabayashilite is a rare mineral with ideal formula [(As,Sb)6S9][As4S5]. Its structure consists of an [M6S9] bundle-like unit (M = As, Sb) running along the [001] axis and [As4S5] cage-like molecules. In this study, samples of wakabayashilite from different occurrences (Khaidarkan, Kyrgyzstan; Jas Roux, France; White Caps mine, USA; Nishinomaki mine, Japan) were selected to verify the possible presence of different molecular groups replacing the As4S5 molecule. Given the chemical (electron probe microanalysis-wavelength dispersive spectroscopy), spectroscopic (micro-Raman) and structural (single-crystal X-ray diffraction) results obtained, it appears evident that only the As4S5 molecular group is present in the wakabayashilite structure and that the apparent non-stoichiometry reported in literature is actually due to unreliable chemical analyses. The structural role of the minor elements (Cu, Zn and Tl) in wakabayashilite is also discussed.

Mining is known to be a major source of metal contamination for fluvial systems worldwide. Monitoring and understanding the effects on downstream water and sediment quality is essential for its management and to mitigate against detrimental environmental impacts. This study aimed to examine the effects of the small-scale, abandoned, hydraulic Black Creek gold mine on the geochemical content of fine (<63 μm) stream bed and floodplain sediment in the Horsefly watershed (British Columbia, Canada), which is a part of the Quesnel River basin. Concentrations of As, Cd, Se and Zn were determined by aqua regia digestion and the modified BCR (European Community Bureau of Reference) sequential extraction procedure followed by inductively coupled plasma-optical emission spectroscopy or inductively coupled plasma-mass spectrometry. Age-depth models for the floodplain cores were constructed using excess Pb-210 and Cs-137 activity concentration profiles. The results show that the mine caused local As contamination of the Horsefly River floodplain sediment during the first years of operation, but at present the contamination is mainly contained in the Black Creek. Present-day and recent concentrations of Cd, Se and Zn in the Horsefly River are elevated and this is probably derived from other upstream mining activities. The spatial and temporal changes in heavymetal concentrations suggest a slight, but not particularly widespread, mining effect on the finesediment geochemistry in the Horsefly River system.

The crystal chemistry of wavellite from Zbirov (Czech Republic), ideally Al3(PO4)2(OH,F)3·5H2O, was addressed by means of a multi-methodological approach based on electron microprobe analysis (EMPA) using wave-dispersive spectroscopy, single-crystal X-ray diffraction, powder and singlecrystal infrared spectroscopy and Raman spectroscopy. The EMPA data showed the presence of significant F replacing OH in the sample studied. The structure was solved in the Pcmn orthorhombic space group, with the following unit-cell constants: a = 9.6422(7), b = 17.4146(15), c = 7.0094(2) Å, V = 1176.98(10) Å3. Phosphorus atoms display tetrahedral (PO4) coordination, while Al cations display octahedral coordination. The mineral framework can be viewed as the repetition of cationic arrays made up of AlO6 polyhedra, bridged by PO4 groups and further joined by O–H⋯O hydrogen bonds. The single-crystal unpolarized Fourier transform infrared (FTIR) spectrum shows combination bands indicating the presence of both OH and H2O in the structure. Both FTIR and Raman spectra show a broad absorption extending from 3600 to 2800 cm−1 resulting from the overlapping of several components due to the water molecules and the OH group. The frequencies observed are comparable to those expected on the basis of the Libowitzky relationship for the range of D–H⋯A bond systems in the structure.

The world of crystallography was forced to reassess its rules about thirty years ago with the introduction of the concept of quasicrystals, solids with rotational symmetries forbidden to crystals, by Levine and Steinhardt (1984) and the discovery of the first examples in the laboratory by Shechtman et al. (1984). Since then, >100 different types of quasicrystals have been synthesized in the laboratory under carefully controlled conditions. The original theory suggested that quasicrystals can be as robust and stable as crystals, perhaps even forming under natural conditions. This thought motivated a decade-long search for a natural quasicrystal, culminating in the discovery of icosahedrite (Al63Cu24Fe13), an icosahedral quasicrystal found in a museum sample consisting of several typical rock-forming minerals combined with exotic rare metal alloy minerals like khatyrkite and cupalite. Here we briefly recount the extraordinary story of the search and discovery of the first natural quasicrystal.

Bluebellite, Cu6[I5+O3(OH)3](OH)7Cl and mojaveite, Cu6[Te6+O4(OH)2](OH)7Cl, are new secondary copper minerals from the Mojave Desert. The type locality for bluebellite is the D shaft, Blue Bell claims, near Baker, San Bernardino County, California, while cotype localities for mojaveite are the E pit at Blue Bell claims and also the Bird Nest drift, Otto Mountain, also near Baker. The two minerals are very similar in their properties. Bluebellite is associated particularly with murdochite, but also with calcite, fluorite, hemimorphite and rarely dioptase in a highly siliceous hornfels. It forms bright bluishgreen plates or flakes up to ~20 mm 620 mm 65 mm in size that are usually curved. The streak is pale bluish green and the lustre is adamantine, but often appears dull because of surface roughness. It is non-fluorescent. Bluebellite is very soft (Mohs hardness ~1), sectile, has perfect cleavage on {001} and an irregular fracture. The calculated density based on the empirical formula is 4.746 g cm–3. Bluebellite is uniaxial (–), with mean refractive index estimated as 1.96 from the Gladstone-Dale relationship. It is pleochroic O (bluish green) >> E (nearly colourless). Electron microprobe analyses gave the empirical formula Cu5.82I0.99Al0.02Si0.12O3.11(OH)9.80Cl1.09 based on 14 (O+Cl) a.p.f.u. The Raman spectrum shows strong iodate-related bands at 680, 611 and 254 cm–1. Bluebellite is trigonal, space group R3, with the unit-cell parameters: a = 8.3017(5), c = 13.259(1) Å , V = 791.4(1) Å 3 and Z = 3. The eight strongest lines in the powder X-ray diffraction (XRD) pattern are [dobs/Å (I) (hkl)]: 4.427(99)(003), 2.664(35)(211), 2.516(100)(21), 2.213(9)(006), 2.103(29)(033,214), 1.899(47)(312,21), 1.566(48)(140,217) and 1.479(29)(045,14,324).

Mojaveite occurs at the Blue Bell claims in direct association with cerussite, chlorargyrite, chrysocolla, hemimorphite, kettnerite, perite, quartz and wulfenite, while at the Bird Nest drift, it is associated with andradite, chrysocolla, cerussite, burckhardtite, galena, goethite, khinite, mcalpineite, thorneite, timroseite, paratimroseite, quartz and wulfenite. It has also been found at the Aga mine, Otto Mountain, with cerussite, chrysocolla, khinite, perite and quartz. Mojaveite occurs as irregular aggregates of greenish-blue plates flattened on {001} and often curved, which rarely show a hexagonal outline, and also occurs as compact balls, from sky blue to medium greenish blue in colour. Aggregates and balls are up to 0.5 mm in size. The streak of mojaveite is pale greenish blue, while the lustre may be adamantine, pearly or dull, and it is non-fluorescent. The Mohs hardness is ~1. It is sectile, with perfect cleavage on {001} and an irregular fracture. The calculated density is 4.886 g cm–3, based on the empirical formulae and unit-cell dimensions. Mojaveite is uniaxial (–), with mean refractive index estimated as 1.95 from the Gladstone-Dale relationship. It is pleochroic O (greenish blue) >> E (light greenish blue). The empirical formula for mojaveite, based on 14 (O+Cl) a.p.f.u., is Cu5.92Te1.00Pb0.08Bi0.01O4(OH)8.94Cl1.06. The most intense Raman bands occur at 694, 654 (poorly resolved), 624, 611 and 254 cm–1. Mojaveite is trigonal, space group R3, with the unit-cell parameters: a = 8.316(2), c = 13.202(6) Å and V = 790.7(1) Å 3. The eight strongest lines in the powder XRD pattern are [dobs/Å (I) (hkl)]: 4.403(91)(003), 2.672(28)(211), 2.512(100)(21), 2.110(27)(033,214), 1.889(34)(312,21,22), 1.570(39)(404,140,217), 1.481(34)(045,14,324) and 1.338(14)(422). Diffraction data could not be refined, but stoichiometries and unit-cell parameters imply that bluebellite and mojaveite are very similar in crystal structure. Structure models that satisfy bondvalence requirements are presented that are based on stackings of brucite-like Cu6MX14 layers, where M = (I or Te) and X = (O, OH and Cl). Bluebellite and mojaveite provide a rare instance of isotypy between an iodate containing I5+ with a stereoactive lone electron pair and a tellurate containing Te6+ with no lone pair.

Lukkulaisvaaraite, Pd14Ag2Te9, is a new platinum-group mineral discovered in the Lukkulaisvaara intrusion, northern Russian Karelia, Russia. In polished section crystals are ~40 mm across, rimmed by tulameenite and accompanied to varying degrees by telargpalite and Bi-rich kotulskite. Lukkulaisvaaraite is brittle, has a metallic lustre and a grey streak. Values of VHN20 fall between 339 and 371 kg mm–2, with a mean value of 355 kg mm–2, corresponding to a Mohs hardness of ~4. In plane-polarized light, lukkulaisvaaraite is light grey with a brownish tinge, has strong bireflectance, light brownish-grey to greyish-brown pleochroism and distinct to strong anisotropy; it exhibits no internal reflections. Reflectance values of lukkulaisvaaraite in air (R1, R2, in %) are: 40.9, 48.3 at 470 nm, 47.6, 56.4 at 546 nm, 52.1, 61.0 at 589 nm and 57.5, 65.2 at 650 nm. Five electron microprobe analyses of natural lukkulaisvaaraite gave the average composition Pd 52.17, Ag 7.03 and Te 40.36, total 99.61 wt.%, corresponding to the empirical formula Pd14.05Ag1.88Te9.06 based on 25 atoms; the average of nine analyses on synthetic lukkulaisvaaraite is Pd 52.13, Ag 7.31 and Te 40.58, total 100.02 wt.%, corresponding to Pd13.99Ag1.93Te9.08. The mineral is tetragonal, space group I4/m, with a = 8.9599(6), c = 11.822(1) Å , V = 949.1(1) Å3 and Z = 2. The crystal structure was solved and refined from the powder X-ray diffraction (XRD) data of synthetic Pd14Ag2Te9. Lukkulaisvaaraite has a unique structure type and shows similarities to that of sopcheite (Ag4Pd3Te4) and palladseite (Pd17Se15). The strongest lines in the powder XRD pattern of synthetic lukkulaisvaaraite [d(Å),I,hkl] are: 2.8323(58)(130,310), 2.8088(92),(213), 2.5542(66)(312), 2.4312(41)(321,231), 2.1367(57)(411,141), 2.1015(52)(233,323), 2.0449(100)(314), 2.0031(63)(420,240), 1.9700(30)(006), 1.4049(30)(246,426), 1.3187(36)(543,453). The mineral is named for the type locality, the Lukkulaisvaara intrusion in Russian Karelia.

The evolution of the trace-element patterns of quartz during crystallization of pegmatite melt was investigated using laser ablation inductively coupled plasma mass spectrometry. The contents of Al, B, Ba, Be, Cr, Fe, Ge, Li, Mn, P, Rb, Sn, Sr and Ti were analysed in quartz from the border, intermediate and core zones of four granitic pegmatites differing in degree of fractionation and origin. The material investigated originates from the pegmatite district of the Strážek Unit, Moldanubian Zone, Bohemian Massif, Czech Republic and includes: lepidolite LCT (Li-Cs-Ta) pegmatite from Rožná; berylcolumbite LCT pegmatite from Věžná; anatectic pegmatite from Znětínek; and intragranitic NYF (Nb-Y-F) pegmatite Vladislav from the Třebíč Pluton. The abundances of the elements analysed varied over wide intervals: <1 to 32 ppm Li, 0.5 to 6 ppm B, <1 to 10 ppm Ge, 1 to 10 ppm P, 10 to 450 ppm Al, 1 to 45 ppm Ti and <1 to 40 ppm Fe (average sample contents). Concentrations of Be, Rb, Sr, Sn, Ba, Cr and Mn are usually <1 ppm. Quartz from LCT pegmatites exhibits a distinct evolutionary trend with a decrease in Ti and an increase in Al, Li and Ge from the pegmatite border to the core. In comparison with the most fractionated rare-metal granites, pegmatitic quartz is relatively depleted in Al and Li, but strongly enriched in Ge. Quartz from simple anatectic and NYF pegmatites is poor in all trace elements with their evolution marked by a decrease in Ti and a small increase in Ge. There is little Al or Li and neither shows any systematic change with pegmatite evolution. Using the Ti-in-quartz thermobarometer, the outer zones of the Znětínek and Vladislav pegmatites crystallized at ∼670°C, whereas the border zone in the Rožná pegmatite yields a temperature near 610°C.

Hloušekite, (Ni,Co)Cu4(AsO4)2(AsO3OH)2(H2O)9, is a new supergene arsenate mineral from the Geister vein (Rovnost mine), Jáchymov (St Joachimsthal), Western Bohemia, Czech Republic. It was found along with veselovský ite, pradetite, lavendulan, arsenolite, babánekite and gypsum on the surface of strongly altered ore fragments containing dominant tennantite and chalcopyrite. Hloušekite forms thin, lath-like crystals, locally elongated reaching up to 3 mm across. It is transparent, has a pale green colour with vitreous lustre, has a greyish-white streak and it is very brittle with an uneven fracture. It does not fluoresce under shortwave or longwave ultraviolet radiation. Cleavage on {010} is perfect; the Mohs hardness is 2–3. The calculated density is 3.295 g cm–3. Hloušekite is optically biaxial with α’ = 1.653(2) and γ’ = 1.73. The estimated optical orientation is γ’ vs. elongation (c) = 14(1)°. In larger grains it is weakly to moderately pleochroic (α = colourless, γ = pale green to green). Hloušekite is triclinic, space group P, a = 6.4010(6), b = 8.0041(6), c = 10.3969(14) Å , α = 85.824(8), β = 79.873(9), γ = 84.655(7)° and V = 521.23(10) Å3, with Z = 1, a:b:c = 0.800:1:1.299. The eight strongest lines in the powder X-ray diffraction (XRD) pattern [d in Å (I)(hkl)] are 10.211(100)(001), 7.974(9)(010), 3.984(6)(020), 3.656(5)(12), 3.631(5)(01), 3.241(5)(022), 3.145(5)(200) and 3.006(5)(210). Chemical analysis by electron microprobe yielded MgO0.20, FeO0.10, NiO 5.79, CoO1.80, CuO29.53, ZnO 0.66, Al2O3 0.14, P2O5 0.11, As2O5 45.01, H2O 17.71 (calc.), for a total of 101.05 wt.%. The resulting empirical formula, calculated by stoichiometry (9H2O + 2OH), obtained from the crystal structure, is (Ni0.79Co0.25)Σ1.04(Cu3.78Zn0.08Mg0.05Al0.03Fe0.01)Σ3.95 (AsO4 )1.98(PO4 )0.02(AsO3OH)2.00(H2O)9.00 . The ideal endmember formula , NiCu4(AsO4)2(AsO3OH)2(H2O)9.00, requires NiO7.23, CuO30.81, As2O5 44.51, H2O17.45, total 100.00 wt.%. The crystal structure of hloušekite was solved by charge flipping from single-crystal XRD data and refined to R1 = 0.0599 for 1441 reflections with [Iobs > 3σ(I)]. Hloušekite is a new member of the lindackerite group (also including lindackerite, pradetite and veselovský ite) of the lindackerite supergroup. The ondrušite group of the lindackerite supergroup includes ondrušite, chudobaite, geigerite and klajite. The establishment of these two groups reflects the difference between the crystal structures of their members, mainly in the coordination environment of the Me cations.

The new mineral species barlowite, ideally Cu4FBr(OH)6, has been found at the Great Australia mine, Cloncurry, Queensland, Australia. It is the Br and F analogue of claringbullite. Barlowite forms thin blue, platy, hexagonal crystals up to 0.5 mm wide in a cuprite-quartz-goethite matrix associated with gerhardtite and brochantite. Crystals are transparent to translucent with a vitreous lustre. The streak is sky blue. The Mohs hardness is 2–2.5. The tenacity is brittle, the fracture is irregular and there is one perfect cleavage on {001}. Density could not be measured; the mineral sinks in the heaviest liquid available, diluted Clerici solution (D &3.8 g/cm3). The density calculated from the empirical formula is 4.21 g/cm3. Crystals are readily soluble in cold dilute HCl. The mineral is optically non-pleochroic and uniaxial (–). The following optical constants measured in white light vary slightly suggesting a small variation in the proportions of F, Cl and Br: ω 1.840(4)–1.845(4) and ε 1.833(4)–1.840(4). The empirical formula, calculated on the basis of 18 oxygen atoms and H2O calculated to achieve 8 anions and charge balance, is Cu4.00F1.11Br0.95Cl0.09(OH)5.85. Barlowite is hexagonal, space group P63/mmc, a = 6.6786(2), c = 9.2744(3) Å , V = 358.251(19) Å3, Z = 2. The five strongest lines in the powder X-ray diffraction pattern are [d(Å )(I)(hkl)]: 5.790(100)(010); 2.889(40)(020); 2.707(55)(112); 2.452(40)(022); 1.668(30)(220).

The thermodynamic solubility product for baryte, determined at standard conditions, from data in commonly used compilations, was compared with published experimental solubility products for baryte and with the solubility products from databases used by the PHREEQC geochemical speciation code and MultiScale, which is often used by oil companies to predict or describe baryte scaling. The values in the various databases agree well with experimental data (10–10.05–10–9.96; Melcher, 1910; Neuman, 1933; Templeton, 1960; Davis and Collins, 1971; Blount, 1977; Felmy et al., 1990), which agree within uncertainty with the values presented in the compilations of Robie et al. (1979), Wagman et al. (1982), Lide (2005), Raju and Atkinson (1988), as well as Nordstrom and Munoz (1994), whose values have the least uncertainty. In solutions of 50% seawater mixed with 50% reservoir formation waters, the data predict baryte supersaturation, both at standard temperature and at the temperatures expected in the reservoir, completely consistent with field observations. This provides confidence that the Pitzer approach for activity correction and the database is valid for investigations of baryte precipitation rates in high ionic strength solutions.

The crystal structure, H bonding and chemical composition of hydroxylherderite from the Bennett pegmatite, Buckfield, Oxford County, Maine, USA were investigated by single-crystal X-ray diffraction and neutron Laue diffraction, electron microprobe analysis in wavelength-dispersive mode, inductively coupled plasma-atomic emission spectrometry and polarized Raman spectroscopy [Ca(Na0.01Ca1.01)∑1.02Be(Be0.98Li0.01)∑0.99P(Si0.03P0.98)∑1.01O4(OH0.67F0.33)∑1, Z = 4, a = 9.7856(5), b = 7.6607(5), c = 4.8025(3) Å, β = 90.02(3)°, V = 360.02(4) Å3, space group P21/a]. The neutron-structure refinement converged with fully anisotropic displacement parameters to give a final agreement index R1 = 0.0363 for 85 refined parameters and 1614 unique reflections with Fo >4σ(Fo). The structure refinement was used to determine the H position and geometry of H bonding in the structure. One H site was found on the O5 anion with an O–H interatomic distance, corrected for “riding motion”, of 0.996(2) Å. The H bond of hydroxylherderite is bifurcated with O2 and O4 acceptors forming H bonds with O5⋯O2 = 3.163(1) Å, H⋯O2 = 2.544(2) Åand O5–H⋯O2 = 121.8(1)°; O5⋯O4 = 3.081(1) Å, H⋯O4 = 2.428(2) Å and O5–H⋯O4 = 124.4(1)°. The highly non-linear O–H⋯O hydrogen bonds in hydroxylherderite and in the isotypic datolite [ideally CaBSiO4(OH)] are constrained by the tetrahedral network topology. Two main O–H stretching modes were observed in the Raman spectra at 3565 and 3620 cm–1, which are attributed to the bifurcated H bond. Two additional weak bands at 3575 and 3610 cm–1 are attributed to Si–P disorder in the tetrahedral sites. Results of this study will contribute to the correlation of H-bonding geometry and O–H stretching frequencies of highly non-linear H bonds.

The crystal structure of burckhardite from the type locality, Moctezuma, Sonora, Mexico, has been refined to R1 = 0.0362 and wR2 = 0.0370 for 215 reflections with I > 2σ(I). Burckhardtite is trigonal, space group P1m, with the unit-cell parameters a = 5.2566(5) Å , c = 13.0221(10) Å , V = 311.62(5) Å3 and Z = 1 for the ideal formula unit Pb2(Fe3+Te6+)[AlSi3O8]O6. There is no long-range order of (Fe3+, Te6+) or (Al3+, Si4+). New microprobe data were used to estimate site scattering factors, and Raman spectroscopic data showed no evidence of O–H stretching bands. Burckhardtite is not closely related to the micas, as supposed previously, but is a double-sheet silicate in which the aluminosilicate anion resembles that of minerals such as cymrite and kampfite. The [(Fe3+Te6+)O6]3– part of the structure is not bonded directly to the aluminosilicate layer, but forms a discrete anionic phyllotellurate layer that alternates with the [AlSi3O8]– double sheets. Similar phyllotellurate layers are known from several synthetic phases. In burckhardtite, Pb2+ cations intercalate between phyllosilicate and phyllotellurate layers, forming a Pb2[FeTeO6] module that is topologically similar to a slab of the structure of rosiaite, Pb[Sb2O6]. The crystal symmetry, structure, classification as a double-sheet silicate and chemical formula, including the determination of the 6+ valence of Te and absence of essential H2O, are all new findings for the mineral.

The new mineral species carducciite, (AgSb)Pb6(As,Sb)8S20, has been discovered in the baryte-pyrite- (Pb-Ag-Zn) deposit of the Pollone mine, near Valdicastello Carducci, Apuan Alps, Tuscany, Italy. It occurs as black metallic prismatic crystals, up to 0.5 mm long, associated with pyrite and sterryite. Its Vickers hardness (VHN10) is 61 kg/mm2 (range: 52–66), corresponding to a Mohs hardness of ~2½–3. In reflected light, carducciite is dark grey in colour, moderately bireflectant; internal reflections are very weak and deep red in colour. Reflectance percentages for the four COM wavelengths [Rmin, Rmax (%) (λ)] are: 35.8, 40.8 (471.1 nm), 33.7, 39.0 (548.3 nm), 32.7, 37.6 (586.6 nm) and 30.4, 35.1 (652.3 nm). Electron microprobe analysis gives (wt.% – mean of six analyses): Ag 3.55(12), Tl 0.13(3), Pb 41.90(42), Sb 17.79(19), As 12.41(14), S 22.10(17), total 97.9(6). On the basis of ΣMe = 16 a.p.f.u., the chemical formula is Ag0.96Tl0.02Pb5.91As4.84Sb4.27S20.14. The main diffraction lines, corresponding to multiple hkl indices, are (relative visual intensity): 3.689 (s), 3.416 (s), 3.125 (s), 2.989 (s), 2.894 (s), 2.753 (vs), 2.250 (s). The crystal-structure study gives a monoclinic unit cell, space group P21/c, with a 8.4909(3), b 8.0227(3), c 25.3957(9) Å, β 100.382(2)°, V 1701.63(11) Å3, Z = 2. The crystal structure has been solved and refined to a final R1 = 0.063 on the basis of 4137 observed reflections. It can be described within the framework of the sartorite homologous series, as formed by chemically twinned layers of the dufrénoysite type. The simplified idealized structural formula, based on 20 sulfur atoms, can ideally be written as (AgSb)Pb6(As,Sb)Σ=8S20. Carducciite is an (Ag,Sb)-rich homeotype of dufrénoysite, stabilized by the complete coupled substitution 2 Pb2+ = Ag+ + Sb3+ on a specific site of the crystal structure. Together with barikaite, it belongs to the rathite sub-group of P21/c homeotypes of dufrénoysite, of which the crystal chemistry is discussed. The distribution of Ag, coupled with As or Sb on specific sites, appears to be the main criterion for the distinction between the three species of this sub-group.

Kitagohaite, ideally Pt7Cu, is a new mineral from the Lubero region of North Kivu, Democratic Republic of the Congo. The mineral occurs as alluvial grains that were recovered together with other Pt-rich intermetallic compounds and Au. Kitagohaite is opaque, greyish white and malleable and has a metallic lustre and a grey streak. In reflected light, kitagohaite is white and isotropic. The crystal structure of kitagohaite is cubic, space group Fmm, of the Ca7Ge type, with a = 7.7891(3) Å, V = 472.57(5) Å3 and Z = 4. The strongest diffraction lines [d in Å(I)(hkl)] are: 2.246 (100)(222), 1.948(8)(004), 1.377 (77)(044), 1.174(27)(622), 1.123 (31)(444) and 0.893 (13)(662). The Vickers hardness is 217 kg mm−2 (VHN100), which is equivalent to a Mohs hardness of 3½ and the calculated density is 19.958(2) g cm−3. Electron-microprobe analyses gave a mean value (n = 13) of 95.49 wt.% Pt and 4.78 wt.%Cu, which corresponds to Pt6.93Cu1.07 on the basis of eight atoms. The new mineral is named for the Kitagoha river, in the Lubero region.