Protasite, a new barium-containing member of the uranyl oxide hydrate group, occurs as bright orange pseudo-hexagonal platelets associated with uraninite and uranophane on unidentified rock matrix from Shinkolobwe mine, Zaïre. Protasite is monoclinic, Pn with a 12.295(2), b 7.221(1), c 6.9558(8) Å, β 90.40(2)°, and V 617.50(11) Å3. The tabular pseudo-hexagonal crystals are flattened on {010}, 0.1 mm to 0.5 mm wide and up to 0.1 mm thick. They are biaxial negative, 2 V = 60–65°, β and γ 1.79–1.83, and X = b. Sector twinning is common. Microprobe analysis shows BaO 15.0, UO3 78.0, H2O(diff.) 7.0%. The structural formula is Ba[(UO2)3O3(OH)2]. 3H2O, Z = 2, and density(calc.) = 5.827(3) g cm−3. Complete crystal-structure analysis shows protasite to be the simplest model structure of the uranyl oxide hydrate group.

Santafeite, known only from New Mexico, USA, is re-examined using single-crystal X-ray and microprobe techniques. The new idealized formula, consistent with space group requirements, is

(Mn2+, Fe3+,Al,Mg)8(Mn4+, Mn2+)8 (Ca,Sr,Na)12[(VO4),(AsO4)]16(OH)20 · 8H2O.

Benleonardite, ideally Ag8(Sb,As)Te2S3 with Sb > As, is a new mineral species that occurs in ore specimens collected from the dumps of the disused Bambolla mine, Moctezuma, Mexico. The associated minerals are acanthite, hessite, an unnamed Ag4TeS phase, pyrite, sphalerite, and native silver. Together with benleonardite, these form thin black crusts in fractures filled with quartz and dolomite in highly altered, tuffaceous, andesitic and rhyolitic rocks. Benleonardite is an opaque mineral and, in reflected plane-polarized light in air, it is weakly bireflectant from very pale light blue to slightly darker blue. It is not pleochroic. Luminance values (relative to the CIE illuminant C) for Ro and R′e computed from visible spectrum reflectance data for the most bireflectant grain, are 33.6 and 31.7% in air, and 18.3 and 16.5% in Zeiss oil (ND 1.515) respectively. Vickers micro-indentation hardness is 105–125 (VHN25). The X-ray powder diffraction pattern could be indexed on a tetragonal cell with a 6.603(5) and c 12.726(6) Å; for Z = 2, the calculated density is 7.79 g/cm2 for the average analysis. The strongest five lines in the X-ray powder pattern are [d in Å (I) (hkl): 12.7 (70) (001); 3.188 (30) (021,004); 2.936 (100) (022); 2.608 (35) (023); 2.158 (35) (124).

The thermal decomposition of caledonite has been examined by simultaneous differential thermal analysis, thermogravimetry and mass spectrometry. Structural H2O and CO2 are liberated endothermically between 300 and 400°C leaving a residue of lead sulphate, oxysulphate, and Cu(I) and Cu(II) oxides. A series of sharp endothermic peaks between 850 and 950°C correspond to phase transition and melting reactions of the PbO-PbSO4 mixture. The sulphate anion breaks down above 880 °C. Mass spectra of the gaseous decomposition products show SO2, SO, and O2, although SO is an artefact arising from ion fragmentation of the SO2 within the mass spectrometer. The residue at 1060 °C is composed predominantly of 2PbO · PbSO4 and Cu(I) and Cu(II) oxides.

Chenite, a new lead-copper secondary mineral, has been found on specimens from the Leadhills area, Scotland. It is associated with caledonite, linarite, leadhillite, susannite, and other species, on oxidized galena with chalcopyrite. Electron microprobe analysis yielded PbO 74.5, CuO 7.8, SO3 13.3, H2O 4.4 (by difference), sum = 100 wt. %. The empirical formula (based on 14 oxygens) is Pb3.98Cu1.17S1.98O14H5.82; the ideal formula is Pb4Cu(SO4)2(OH)6, which requires PbO 75.2, CuO 6.7, SO3 13.5, H2O 4.6, sum = 100 wt. %.

Infra-red spectroscopy showed the presence of only and OH− ions, with no H2O.

Chenite is triclinic, P1 or P̄, with a = 5.791(1), b = 7.940(1), c = 7.976(1) Å, α = 112.02(1), β = 97.73(1), γ = 100.45(1)°, V = 326.0 Å3, Z = 1. The strongest lines in the X-ray powder diffraction pattern (d, I/Io, hkl) are: 5.55, 7, 100; 4.32, 6, 11; 3.60, 10 002; 3.41, 9, 10; 3.30, 5, 02; 3.00, 5, 111; 2.80, 7, 12; 2.07, 6, 211/21/13; 1.778, 5, 3/23.

Chenite forms minute, singly terminated, transparent to translucent sky-blue crystals from 0.1 to over 1 mm long, elongated approximately [032]. Twenty different forms (pinacoids) have been identified on the four crystals studied. A good cleavage on {100}, and traces of a second on {001}, can be observed. Optically, chenite is biaxial negative, 2 V(measured) = 67±1°, 2 V(calc.) = 68° (Na). The refractive indices are α 1.871±0.005, β 1.909±0.005, γ 1.927±0.005 (Na). Dispersion is strong, r≫v. The mineral is weakly pleochroic. H (Mohs) ∼ 2½. D = 5.98, and calculated Dx = 6.044 g cm−3.

Transmission electron microscopy shows that normal chrysotile and polygonal serpentine occur together and in parallel association with balangeroite, within the slip-veins of the Balangero serpentinite. Chrysotile substitutes for balangeroite and it is later replaced by the polygonal serpentine.

The chrysotile fibres are packed together according to a rod close-packing scheme, with defects. Lattice images of the polygonal serpentine confirm the structure model proposed by Middleton and Whittaker (1976), consisting of polygonally arranged fiat layers. This structural type is probably common for serpentine minerals and constitutes a fourth main type of layer configuration in 1:1 layer silicates.

Pyrosmalite [(Mn,Fe)8(OH,Cl)10Si6O15] has been identified by X-ray diffraction from the Pegmont lead-zinc deposit, north-west Queensland. Microprobe analyses indicate that it is the first reported occurrence of an extremely iron-rich member of the series. The characteristically high chlorine content of pyrosmalite in Pegmont and other similar base metal deposits may provide some evidence concerning the depositional environment of these stratiform Pb-Zn ores.

Metavivianite has been shown to be not dimorphous with vivianite. Assuming the homogeneity and uniformity of the original type samples, it is a triclinic hydrated ferri-ferrous hydroxy phosphate whose formula may be given as Fe2+3-xFe3+x(po4)2(OH)x(8-x)H2O where x > 1.4. The precise oxidation limits between which the triclinic lattice is stable are not known but the structure persists close to total oxidation of all iron. The structure of metavivianite was established using a fragment of kerchenite whose formula as originally given is covered by the general metavivianite formula. Assuming the homogeneity of the original (1907) samples, kerchenite and metavivianite appear to be identical.

Descloizite, cuprian descloizite, and mottramite from most of the known prospects and mines in the Otavi Mountain Land were sampled and subsequently analysed chemically and by X-ray diffraction. Unit cell parameters were refined with the aid of a computer program. It was found that, contrary to previous opinion, chemical parameters of these vanadates can be deduced from their X-ray powder data according to the equations (correlation coefficients in parenthesis):

ZnO = 75.369c−0.119b−31.177a−456.512(0.9634)

Zn2+ = 369.568c + 236.583b − 146.42a − 3726.344 (0.9642)

CuO = − 74.991c + 0.086b + 29.419a + 486.204 (0.9649)

Cu2+ = − 369.568c − 236.583b + 146.420c + 3826.344 (0.9642).

The superstructure of ganophyllite has been analysed using subcell single crystal X-ray data and electron-optical observations. The full cell (supercell), space group A2/a, a = 16.6, b = 26.6, c = 50 Å, β = 94° has the approximate formula (K,Na,Ca)6+7.5(Mg,Fe,Mn)24[Si32.5Al7.5]O96(OH)1621H2O, Z = 8. A structure is proposed in which triple chains of silica tetrahedra parallel to X form narrow 2 : 1 layers with sinusoidal Mn-octahedral sheets. The triple chains are connected laterally, and across the interlayer, by pairs of inverted tetrahedra, linking to each other into four-member rings parallel to (010). Polytypes are generated by various displacements of the inverted tetrahedra.

The structure and elastic properties of MgSiO3, a major mantle-forming phase, have been simulated using computer models which predict the minimum energy structure by using interatomic pair potentials to describe the net forces acting between the atoms. Four such interatomic potentials were developed in this study, and are compared with potential N1 of Miyamoto and Takeda (1984). The most successful potential (W3) was derived by fitting the short range potential parameters to both the experimentally obtained structural and elastic properties of MgSiO3 perovskite. The relative stabilities of some of the possible perovskite polymorphs, the orthorhombic, cubic, and tetragonal phases and hexagonal polytypes, were evaluated at 0 K and between 1 bar and 2 Mbar. The orthorhombic phase is found to be stable at all but the highest pressures, where the cubic phase may be stable. The temperature of the ortho-rhombic to cubic transition may decrease with increasing pressure. The energy of a stacking fault on (110) in the cubic phase was estimated using the ANNNI model and found to be about 1.95 J m−2 using potential W3. The distance of separation of partial dislocations of this type is predicted to increase with increasing pressure from 8.4 Å at 1 bar to 9.2 Å at 1 Mbar.

Metal particles in the Bachmut chondrite may be subdivided into large (hundreds of μm in size) and small (1–10 µm in size) varieties. They differ in the ratio of their constituent phases, in structure, and in chemical composition. Large particles are richer in Ni than small ones, the latter being characterized by an abnormally high Cu content. It is suggested that different pre-accretion histories were responsible for producing the various types of metal grains, and that, during post-accretion thermal history, temperatures were too low to cause elemental redistribution among the grains.

Two distinct habits of redledgeite are described: small black bipyramidal crystals and yellow-green fibres. The mineral is a Ba-Cr-Ti oxide rather than a Mg-Cr-Ti oxide as previously supposed. Electron microprobe analysis gave Ba1.10(Cr1.82Ti5.95 Fe0.10V0.08)Σ7.95O16 and Ba1.27(Cr2.48Ti5.49Fe0.02)Σ7.99 O16 for the black and yellow-green forms respectively. The mineral is a monoclinic hollandite-type phase, space group I2/m, with a = 10.129(2); b = 2.959(1); c = 10.135(2) Å; β = 90.05(11)° and Z = 1; calculated density for the black form is 4.413 g cm−3. The crystal structure was refined to R 6.3%, Rw 7.4% using 1017 reflections with F > 3σ(F) from a set of 1062 unique reflections. Electron diffraction studies revealed weak superlattice reflections, with a period of 2.24b due to tunnel cation ordering.

Samples of granulated slag from Scunthorpe, Humberside, collected over several years, vary somewhat in chemical composition reflecting differences in iron-making practice. All contain some melilite and oldhamite crystals and minor amounts of iron along with the glass. Granulated slag from Usinor, Dunkirk, France, has a little more CaO than the Scunthorpe material with crystals of merwinite and oldhamite. Pelletised slag from Redcar, Teeside, is much more vescicular than the granulated material and contains melilite and oldhamite.

The melilite crystals contain many inclusions of oldhamite and iron. They span a wide range within the akermanite-gehlenite series and are non-stoichiometric in composition. The merwinite may have formed largely by quench crystallization. Oldhamite is probably the first phase to form in all the slags. The silicate mineralogy can be explained in terms of the phase relationships within the CaO-SiO2-Al2O3-MgO quaternary system. The small difference in composition of the French slags is sufficient for them to fall into the primary phase field of merwinite rather than melilite. Assuming that only a minor proportion of crystals is acceptable in slags for use in Portland Blastfurnace Cement, the present low Al (< 11 % Al2O3) British and French slags are approaching an optimum composition.

The crystal structure of a freibergite (Ag-tetrahedrite) from Keno Hill, Yukon, Canada, and a tetrahedrite from Turquetil Lake, NWT, Canada, have been refined. The freibergite, Cu5.84Ag4.22Fe1.59Zn0.43 Sb4.10AS0.13S13, a = 10.610(2) Å, and the tetrahedrite, Cu10.24Fe1.03Zn0.97Ag0.05Sb3.66As0.28S13, a = 10.364(2) Å, were both refined in space group I4̄3m. The refinements confirm that Ag does occupy the threefold coordinated metal site as first described by Kalbskopf (1972) and that Fe also occupies this site. The structural changes accompanying Ag substitution are described and a model to explain the upper limit of substitution at four atoms of silver for thirteen atoms of sulphur is proposed.

We show that the structures and phases developed in a variety of polysomatic series, including the biopyroboles, are similar to those predicted by a simple spin model—the Axial Next-Nearest-Neighbour Ising (ANNNI) model in a magnetic field. We argue that the different polysomatic structures can be considered as thermodynamically stable phases, composed of ordered sequences of chemically distinct structural modules. We suggest that the key factors which determine the stability of polysomatic phases are (a) the chemical potential, which controls the proportion of the different structural modules, and (b) the competing interactions between first and second neighbour modules within the structures.