A simple general equation is presented for estimating the Fe3+ concentrations in ferromagnesian oxide and silicate minerals from microprobe analyses. The equation has been derived using stoichiometric criteria assuming that iron is the only element present with variable valency and that oxygen is the only anion. In general, the number of Fe3+ ions per X oxygens in the mineral formula, F, is given by;

where T is the ideal number of cations per formula unit, and S is the observed cation total per X oxygens calculated assuming all iron to be Fe2+. Minerals for which this equation is appropriate include pyralspite and ugrandite garnet, aluminate spinel, magnetite, pyroxene, sapphirine and ilmenite. The equation cannot be used for minerals with cation vacancies (e.g. micas, maghemite) unless, as in the case of amphiboles, the number of ions of a subset of elements in the formula can be fixed. Variants of the above equation are presented for some of the numerous published schemes for the recalculation of amphibole formulae. The equation is also inappropriate for minerals showing Si4+ = 4H+ substitution (e.g. staurolite, hydrogarnet), minerals containing an unknown proportion of an unanalysed element other than oxygen (e.g. boron-bearing kornerupine) and minerals containing two or more elements with variable valency.

We discuss the use of regression diagnostics combined with nonlinear least-squares to refine cell parameters from powder diffraction data, presenting a method which minimizes residuals in the experimentally-determined quantity (usually 2θhkl or energy, Ehkl). Regression diagnostics, particularly deletion diagnostics, are invaluable in detection of outliers and influential data which could be deleterious to the regressed results. The usual practice of simple inspection of calculated residuals alone often fails to detect the seriously deleterious outliers in a dataset, because bare residuals provide no information on the leverage (sensitivity) of the datum concerned. The regression diagnostics which predict the change expected in each cell constant upon deletion of each observation (hkl reflection) are particularly valuable in assessing the sensitivity of the calculated results to individual reflections. A new computer program, implementing nonlinear regression methods and providing the diagnostic output, is described.

Mineral replacement reactions take place primarily by dissolution-reprecipitation processes. Processes such as cation exchange, chemical weathering, deuteric alteration, leaching, pseudomorphism, metasomatism, diagenesis and metamorphism are all linked by common features in which one mineral or mineral assemblage is replaced by a more stable assemblage. The aim of this paper is to review some of these aspects of mineral replacement and to demonstrate the textural features they have in common, in order to emphasize the similarities in the underlying microscopic mechanisms. The role of volume change and evolution of porosity is explored both from natural microtextures and new experiments on model replacement reactions in simple salts. It is shown that the development of porosity is often a consequence of mineral replacement processes, irrespective of the relative molar volumes of parent and product solid phases. The key issue is the relative solubility of the phases in the fluid phase. Concepts such as coupled dissolution-precipitation, and autocatalysis are important in understanding these processes. Some consequences of porosity generation for metamorphic fluid flow as well as subsequent crystal growth are also discussed.

The International Mineralogical Association's approved amphibole nomenclature has been revised in order to simplify it, make it more consistent with divisions generally at 50%, define prefixes and modifiers more precisely and include new amphibole species discovered and named since 1978, when the previous scheme was approved. The same reference axes form the basis of the new scheme and most names are little changed but compound species names like tremolitic hornblende (now magnesiohornblende) are abolished and also crossite (now glaucophane or ferroglaucophane or magnesioriebeckite or riebeckite), tirodite (now manganocummingtonite) and dannemorite (now manganogrunerite). The 50% rule has been broken only to retain tremolite and actinolite as in the 1978 scheme so the sodic calcic amphibole range has therefore been expanded. Alkali amphiboles are now sodic amphiboles. The use of hyphens is defined. New amphibole names approved since 1978 include nyböite, leakeite, kornite, ungarettiite, sadanagaite and cannilloite. All abandoned names are listed. The formulae and source of the amphibole end member names are listed and procedures outlined to calculate Fe3+ and Fe2+ when not determined by analysis.

This is the final report on the nomenclature of pyroxenes by the Subcommittee on Pyroxenes established by the Commission on New Minerals and Mineral Names of the International Mineralogical Association. The recommendations of the Subcommittee as put forward in this report have been formally accepted by the Commission. Accepted and widely used names have been chemically defined, by combining new and conventional methods, to agree as far as possible with the consensus of present use. Twenty names are formally accepted, among which thirteen are used to represent the end-members of definite chemical compositions. In common binary solid-solution series, species names are given to the two end-members by the ‘50% rule’. Adjectival modifiers for pyroxene mineral names are defined to indicate unusual amounts of chemical constituents. This report includes a list of 105 previously used pyroxene names that have been formally discarded by the Commission.

Several text symbol lists for common rock-forming minerals have been published over the last 40 years, but no internationally agreed standard has yet been established. This contribution presents the first International Mineralogical Association (IMA) Commission on New Minerals, Nomenclature and Classification (CNMNC) approved collection of 5744 mineral name abbreviations by combining four methods of nomenclature based on the Kretz symbol approach. The collection incorporates 991 previously defined abbreviations for mineral groups and species and presents a further 4753 new symbols that cover all currently listed IMA minerals. Adopting IMA–CNMNC approved symbols is considered a necessary step in standardising abbreviations by employing a system compatible with that used for symbolising the chemical elements.

Detailed methods are described for the laboratory preparation of the manganese minerals manganosite, hausmannite, manganite, partridgeite, birnessite, cryptomelane, pyrolusite, and todorokite. New data are presented on the conversion of birnessite to cryptomelane, and on the exchange properties of potassium in these two minerals. It was found that the upper limit of potassium in cryptomelane is about 7 % K, while the lower limit lies between 0·25 % and 2·2 % K.

Chromian spinel in volcanic rocks is a potential discriminant for magma chemistry. The TiO2 content of spinel, compared at similar Fe3+/(Cr + Al + Fe3+) ratios, can distinguish island arc basalts from intraplate basalts. MORB spinels are low in this ratio and are intermediate for the TiO2 level at comparable Fe3+ ratios. Spinels from back-arc basin basalts, although similar in TiO2/Fe3+ ratio, are more enriched in Fe3+ than the MORB spinels. Spinels in the oceanic plateau basalts are distinctly lower in TiO2 than other intraplate basalt spinels and even slightly lower in TiO2 than the MORB spinels. The data were successfully applied to estimate the kind of the magma from which spinelbearing cumulates, especially dunites, were formed. Original magma chemistry of altered or metamorphosed volcanics in which spinels survive can also be estimated by the chemistry of relict spinel alone. It is possible to estimate the magma type of source volcanics for detrital spinel particles of volcanic derivation.

Three groups of minerals are discussed, which are typified by pyroaurite and sjögrenitc, hydrocalumite, and ettringite. All show interesting structural features. In the pyroaurite-sjögrenite group, brucite-likc layers carrying a net positive charge alternate with layers in which the oxygen atoms of carbonate groups and water molecules are statistically distributed on a single set of sites; other anions may replace the carbonate, especially in synthetic phases. Hydrocalumite and related synthetic phases also have layer structures in which positively charged main layers alternate with intermediate layers containing anions and water molecules; the anions occur in cavities and their nature can again vary widely. In the ettringite group, the structures are based on positively charged columns, between which occur channels containing anions and sometimes also water molecules. This group includes thaumasite, the only natural mineral known to contain silicon six-coordinated by oxygen that is not a high-pressure phase. The thermal dehydration behaviour in each group is briefly considered.

Backscattered electrons (BSE) are incident electrons reflected back from a target specimen and imaged with the scanning electron microscope (SEM). Three distinct BSE signals exist: atomic number or Z-contrast, in which composition determines image contrast; orientation contrast, in which specimen crystal structure determines image contrast; and electron channelling patterns (ECP), which are unique for a particular crystal orientation. The origins of these three signals are described, with particular attention being given to the necessary SEM operational and specimen preparation requirements. Z-contrast images are relatively simple to obtain and also have a familiar appearance such that their usage should become commonplace. ECP in comparison require subsequent interpretation which depends on the crystal structure and the relationship between crystal and specimen coordinate systems. A general solution to ECP interpretation is therefore presented, involving the construction of reference ‘ECP-maps’ over the surface of a sphere. A brief summary of the applications and potential use of the three BSE signals in the geological sciences is also given.

The chlorites form an extensive isostructural series with a high degree of isomorphous substitution, within which it has always been difficult to define or delimit species; until recently, owing to the lack of adequate X-ray studies; several structurally distinct species were included with the group, further complicating the problem. The group comprises aluminosilicates of magnesium and iron (ferrous and ferric); a few contain appreciable amounts of chromium, nickel, or manganese, and one (pennantite) contains manganese as a major constituent.

The first step towards the understanding of the relations of the chlorites was taken by G. Tschermak (1890, 1891), who divided them into two groups: the orthochlorites, with compositions between (Mg,Fe")2Al2SiO5(OH)4 and (Mg,Fe")2Si2O5(OH)4, and the leptochlorites, with compositions not explicable on this basis, and in general richer in trivalent ions (often including considerable Fe"′) relative to silicon and divalent ions. The two orthochlorite end-members have the composition of amesite and serpentine respectively, but it is now known that neither of these two minerals has the chlorite structure.

Zirconium and Hf are nearly identical geochemically, and therefore most of the crust maintains near-chondritic Zr/Hf ratios of ∼35–40. By contrast, many high-silica rhyolites and granites have anomalously low Zr/Hf (15–30). As zircon is the primary reservoir for both Zr and Hf and preferentially incorporates Zr, crystallization of zircon controls Zr/Hf, imprinting low Zr/Hf on coexisting melt. Thus, low Zr/Hf is a unique fingerprint of effective magmatic fractionation in the crust. Age and compositional zonation in zircons themselves provide a record of the thermal and compositional histories of magmatic systems. High Hf (low Zr/Hf) in zircon zones demonstrates growth from fractionated melt, and Ti provides an estimate of temperature of crystallization (TTiZ) (Watson and Harrison, 2005). Whole-rock Zr/Hf and zircon zonation in the Spirit Mountain batholith, Nevada, document repeated fractionation and thermal fluctuations. Ratios of Zr/Hf are ∼307–40 for cumulates and 18–30 for high-SiO2 granites. In zircons, Hf (and U) are inversely correlated with Ti, and concentrations indicate large fluctuations in melt composition and TTiZ (>100°C) for individual zircons. Such variations are consistent with field relations and ion-probe zircon geochronology that indicate a >1 million year history of repeated replenishment, fractionation, and extraction of melt from crystal mush to form the low Zr/Hf high-SiO2 zone.

Layered double hydroxide (LDH) compounds are characterized by structures in which layers with a brucite-like structure carry a net positive charge, usually due to the partial substitution of trivalent octahedrally coordinated cations for divalent cations, giving a general layer formula [(M1–x2+M3+x)(OH)2]x+. This positive charge is balanced by anions which are intercalated between the layers. Intercalated molecular water typically provides hydrogen bonding between the brucite layers. In addition to synthetic compounds, some of which have significant industrial applications, more than 40 mineral species conform to this description. Hydrotalcite, Mg6Al2(OH)16[CO3]·4H2O, as the longest-known example, is the archetype of this supergroup of minerals. We review the history, chemistry, crystal structure, polytypic variation and status of all hydrotalcite-supergroup species reported to date. The dominant divalent cations, M2+, that have been reported in hydrotalcite supergroup minerals are Mg, Ca, Mn, Fe, Ni, Cu and Zn; the dominant trivalent cations, M3+, are Al, Mn, Fe, Co and Ni. The most common intercalated anions are (CO3)2–, (SO4)2– and Cl–; and OH–, S2– and [Sb(OH)6]– have also been reported. Some species contain intercalated cationic or neutral complexes such as [Na(H2O)6]+ or [MgSO4]0. We define eight groups within the supergroup on the basis of a combination of criteria. These are (1) the hydrotalcite group, with M2+:M3+ = 3:1 (layer spacing ∼7.8 Å); (2) the quintinite group, with M2+:M3+ = 2:1 (layer spacing ∼7.8 Å); (3) the fougèrite group, with M2+ = Fe2+, M3+ = Fe3+ in a range of ratios, and with O2– replacing OH– in the brucite module to maintain charge balance (layer spacing ∼7.8 Å); (4) the woodwardite group, with variable M2+:M3+ and interlayer [SO4]2 –, leading to an expanded layer spacing of ∼8.9 Å; (5) the cualstibite group, with interlayer [Sb(OH)6]– and a layer spacing of ∼9.7 Å; (6) the glaucocerinite group, with interlayer [SO4]2– as in the woodwardite group, and with additional interlayer H2O molecules that further expand the layer spacing to ∼11 Å; (7) the wermlandite group, with a layer spacing of ∼11 Å, in which cationic complexes occur with anions between the brucite-like layers; and (8) the hydrocalumite group, with M2+ = Ca2+ and M3+ = Al, which contains brucite-like layers in which the Ca:Al ratio is 2:1 and the large cation, Ca2+, is coordinated to a seventh ligand of 'interlayer' water.

The principal mineral status changes are as follows. (1) The names manasseite, sjögrenite and barbertonite are discredited; these minerals are the 2H polytypes of hydrotalcite, pyroaurite and stichtite, respectively. Cyanophyllite is discredited as it is the 1M polytype of cualstibite. (2) The mineral formerly described as fougèrite has been found to be an intimate intergrowth of two phases with distinct Fe2+:Fe3+ ratios. The phase with Fe2+:Fe3+ = 2:1 retains the name fougèrite; that with Fe2+:Fe3+ = 1:2 is defined as the new species trébeurdenite. (3) The new minerals omsite (IMA2012-025), Ni2Fe3+(OH)6[Sb(OH)6], and mössbauerite (IMA2012-049), Fe3+6O4(OH)8[CO3]·3H2O, which are both in the hydrotalcite supergroup are included in the discussion. (4) Jamborite, carrboydite, zincaluminite, motukoreaite, natroglaucocerinite, brugnatellite and muskoxite are identified as questionable species which need further investigation in order to verify their structure and composition. (5) The ranges of compositions currently ascribed to motukoreaite and muskoxite may each represent more than one species. The same applies to the approved species hydrowoodwardite and hydrocalumite. (6) Several unnamed minerals have been reported which are likely to represent additional species within the supergroup.

This report has been approved by the Commission on New Minerals, Nomenclature and Classification (CNMNC) of the International Mineralogical Association, voting proposal 12-B.

We also propose a compact notation for identifying synthetic LDH phases, for use by chemists as a preferred alternative to the current widespread misuse of mineral names.

From G. F. Becker's and L. V. Pirsson's early enunciations linking the dynamics of magma chambers to the rock records of sills and plutons to this day, two features stand at the centre of nearly every magmatic process: solidification fronts and phenocrysts. The structure and behaviour of the envisioned solidification front, however, has been mostly that akin to non-silicate, non-multiply-saturated systems, which has led to confusion in appreciating its role in magmatic evolution. The common habit of intruding magmas to carry significant amounts of phenocrysts, which can lead to efficient fractionation, layering, and interstitial melt flow within extensive mush piles, when coupled with solidification fronts, allows a broad understanding of the processes leading to the rock records of sills and lava lakes. These same processes are fundamental to understanding all magmas.

The spatial manifestation of the liquidus and solidus is the Solidification Front (SF); all magmas, stationary or in transit, are encased by SFs. In the ideal case of an initially crystal-free, cooling magma, crystallinity increases from nucleation on the leading liquidus edge to a holocrystalline rock at the trailing solidus. The package of SF isotherms advances inward, thickening with time and, depending on location — roof, floor, or walls — and the initial crystallinity of the magma, is instrumental in controlling magmatic evolution. Bimodal volcanism as well as much of the structure of the oceanic crust may arise from the behaviour of SFs.

In mafic magmas, somewhere near a crystallinity (N) of 55% (vol), depending on the phase assemblage, the SF changes from a viscous fluid (suspension (0<N<25) and mush (25<N<55%)) to an elastic crystalline network (rigid crust (55<N<100%)) of some strength containing interstitial residual melt. With thickening of the roofward SF of some mafic magmas, the weight of the leading, viscous portion repeatedly tears the crust near N ∼ 55–60%, efficiently segregating the local residual melt into zones of interdigitating silicic lenses. This is SF instability (SFI), a process of possible importance in continental crust initiation and evolution, in producing silicic segregations in oceanic crust, and in recording the inability of the viscous part of the upper SF ever to detach wholly in typical (<∼ 1 km) sheet-like magmas. These granophyric and pegmatitic segregations, individually reaching 1–2 m in thickness and 30–50 m in length, form thick (∼ 50–75 m) zones that can be misconstrued as sandwich horizons where the last liquids might have accumulated. In effectively splitting the magma chemically and spatially, SFI is, in essence, a form of chaos (i.e. silicic chaos).

Differentiation of initially crystal-free, stationary magmas is limited to processes occurring within SFs, which operate in competition with the rate of inward advancement of solidification. Local processes operating on characteristic time scales longer than the time for the SF to advance a distance equal to its own thickness are suppressed. Enormous increases in viscosity outward within the viscous, leading portion of the SF efficiently partition the distribution of melt accessible to eruption. Eruptible melts lie essentially inward of the SF and are thus severely restricted in silica enrichment. The silica-enriched SFI melts are thus generally inaccessible to collection and eviction unless the host SF is reprocessed or “burned back” through, respectively, later regional magmatism or massive, late-stage re-injection. And because of large viscosity contrasts between SFI melts and host basalts, once freed, SFI melts are literally impossible to homogenize back into the system and may collect and compact against the roof to form large silicic masses. Unusually voluminous, bulbous masses of silicic granophyre present along, and sometimes warping, the roofs of large diabase sills may reflect collections of remobilized blobs of SFI melts. These bulbous masses may be later added to the continental crust through solid state creep.

In sheets made of phenocryst-rich, singly saturated magma, most phenocrysts are able through settling or floating to avoid capture by the advancing SFs. Significant differentiation is possible through extensive settling of initial phenocrysts and upward leakage of interstitial residual melt from the associated cumulate pile, which over-thickens the lower SF, greatly tipping the competitive edge against suppression of melt leakage by advancing solidification. Dense interstitial melts may similarly drain from roofward cumulates of light phenocrysts. The variation in crystal size and modal abundance in these cumulate piles are intimate records of prior crystallization, transport, and filling.

Magmas in transit erode SFs and thoroughly charge the magma with crystals, facilitating fractionation and differentiation, especially if the body occasionally comes to rest. The key to protracted differentiation through fractional crystallization is not crystallization in stationary, closed chambers, but the repeated transport and chambering of magma or the periodic resupply to chambers of phenocryst-rich magma. This is punctuated differentiation, which may be the general case. Close corollaries are that thick, closed sheets of initially crystal-free, multiply-saturated magma undergo precious little overall differentiation, and that deciphering the sequence and crystallinity, including in transit phenocryst entrainment, growth, and sorting, of the filling events is central to unravelling intrusive history.

Variations in temperature, whether on phase diagrams or in actual magmas, are intrinsically linked to commensurate variations in space and time in magmatic systems. The spectrum of all physical and chemical processes associated with magma is accordingly strongly partitioned in space and time.

The idea of a magma chamber as a vat of low crystallinity melt crystallizing everywhere within and differentiating through crystal settling is unrealistic. A magma chamber formed of any number of crystal-laden inputs, encased by inward-propagating, dynamic solidification fronts, and where significant differentiation is tied to the dynamics of late-stage, interstitial melt within extensive mush piles is more in accord with the rock record.

In the Earth’s lithosphere, fungi are of fundamental importance as decomposer organisms, animal and plant pathogens and symbionts (e.g. lichens and mycorrhizas), being ubiquitous in sub-aerial and subsoil environments. The ability of fungi to interact with minerals, metals, metalloids and organic compounds through biomechanical and biochemical processes, makes them ideally suited as biological weathering agents of rock and building stone. They also play a fundamental role in biogeochemical cycling of nutrients, (e.g. C, N, P and S) and metals (e.g. Na, Mg, Ca, Mn, Fe, Cu, Zn, Co and Ni) essential for the growth of living organisms in the biosphere. In addition they play an integral role in the mobilization and immobilization of non-essential metals (e.g. Cs, Al, Cd, Hg and Pb). Most studies on mineral-microbe interactions and microbial involvement in geological processes have concentrated on bacteria and archaea (Prokaryota): fungi (Eukaryota) have, to a certain extent, been neglected. This article addresses the role of fungi in geomicrobiological processes, emphasizing their deteriorative potential on rock, building stone and mineral surfaces and involvement in the formation of secondary mycogenic minerals. Such roles of fungi are also of importance for the global carbon reservoir and have potential biotechnological applications, e.g. in the bioremediation of xenobiotic-, metal- and/or radionuclide-contaminated soils and wastes, and metal/radionuclide recovery.

Schwertmannite is a new oxyhydroxysulphate of iron from the Pyhäisalmi sulphide mine, Province of Oulu, Finland. It occurs there, and elsewhere, as an ochreous precipitate from acid, sulphate-rich waters. Associated minerals at other localities may include jarosite, natrojarosite, goethite and ferrihydrite. Schwertmannite is a poorly crystalline, yellowish brown mineral with a fibrous morphology under the electron microscope. A high specific surface area in the range of 100 to 200 m2/g, rapid dissolution in cold, 5 M HCl or in ammonium oxalate at pH 3, and pronounced X-ray diffraction line broadening are consistent with its poorly crystalline character.

Colour parameters for the type specimen as related to CIE illuminant C are L* = 53.85, a* = + 15.93, and b* = +47.96. Chemical analysis gives Fe2O3, 62.6; SO3, 12.7; CO2, 1.5; H2O−, 10.2; H2O+, 12.9; total 99.9 wt.%. These data yield an empirical unit cell formula of Fe16O16(OH)9.6(SO4)3.2·10H2O after exclusion of CO2 and H2O−. The most general simplified formula is Fe16O16(OH)y(SO4)z·nH2O, where 16 − y = 2z and 2.0 ⩽ z ⩽ 3.5. Schwertmannite has a structure akin to that of akaganéite (nominally β-FeOOH) with a doubled c dimension. Its X-ray powder diffraction pattern consists of eight broad peaks [dobs in (Iobs) (hkl)] 4.86(37)(200,111); 3.39(46)(310); 2.55(100)(212); 2.28(23)(302); 1.95(12)(412); 1.66(21)(522); 1.51(24)(004); and 1.46(18)(204,542), giving a = 10.66(4), c = 6.04(1) Å, and V = 686(6) Å3 for a primitive, tetragonal unit cell. The probable space group is P4/m. Upon heating, schwertmannite transforms to hematite with Fe2(SO4)3 occurring as an intermediate phase. Bidentate bridging complexes between Fe and SO4 are apparent in infrared spectra. Mössbauer data show the Fe in schwertmannite to be exclusively trivalent and in octahedral coordination; it has a Néel temperature of 75 ± 5 K and a saturation magnetic hyperfine field of about 45.6 T. Pronounced asymmetry of the Mössbauer spectra indicates different locations for Fe atoms relative to SO4 groups in the structure. The name is for Udo Schwertmann, professor of soil science at the Technical University of Munich.

Lithium may constitute an essential element in micas, yet it cannot be detected by the electron microprobe. Since Li is critical for correctly classifying micas and properly calculating their formulae, several methods have been proposed to overcome this analytical deficiency. We offer empirical relationships between Li2O and SiO2, MgO, F, and Rb in trioctahedral micas, and between Li2O and F as well as Rb in dioctahedral micas. The resultant regression equations enable lithium contents to be sufficiently well estimated from EPM analyses within the range of validity discussed.

Secondly, we introduce an easy to handle, new diagram with the axis variables [Mg-Li] and [Fetot + Mn + Ti-AlVI] for graphical representation and discuss its scientific rationale. Being based on absolute abundances of cations in the octahedral layer, the diagram provides a simple means to classify micas in terms of composition and octahedral site occupancy, and it also allows compositional relationships between Li-bearing and Li-free mica varieties as well as between trioctahedral and dioctahedral micas to be displayed on a single, two-dimensional diagram.

Mackinawite, tetragonal FeS, has been synthesised by reacting iron with Na2S solutions. A Rietveld structure refinement of X-ray powder diffraction data, recorded using X-rays monochromated from synchrotron radiation with a wavelength of 0.6023 Å, has been performed. The structure has been refined in the tetragonal space group, P4/nmm, and has the following cell parameters: a = 3.6735(4), c = 5.0328(7) Å, V = 67.914(24) Å3. Our refinement shows that the FeS4 tetrahedron in mackinawite is almost perfectly regular, with a much smaller distortion than has been previously reported. An improved X-ray diffraction data set is provided.