The new mineral magnesiokoritnigite (IMA 2013-049), ideally Mg(AsO3OH)·H2O, was found at the Torrecillas mine, Salar Grande, Iquique Province, Chile, where it occurs as a secondary alteration phase in association with anhydrite, chudobaite, halite, lavendulan, quartz and scorodite. Crystals of magnesiokoritnigite are colourless to pale-pink, thin to thick laths up to 2 mm long. Laths are elongated on [001], flattened on {010} and exhibit the forms {010}, {110}, {10}, {101}, {031} and {01}. The crystals also occur in dense deep-pink intergrowths. Crystals are transparent with a vitreous lustre. The mineral has a white streak, Mohs hardness of ∼3, brittle tenacity, conchoidal fracture and one perfect cleavage on {101}. The measured and calculated densities are 2.95(3) and 2.935 g cm– 3, respectively. Optically, magnesiokoritnigite is biaxial (+) with α = 1.579(1), β = 1.586(1) and γ = 1.620(1) (measured in white light). The measured 2V is 50(2)° and the calculated 2V is 50°. Dispersion is r < v, medium. The optical orientation is Y ≈ b; Z ^ c = 36° in obtuse β (note pseudomonoclinic symmetry). The mineral is non-pleochroic. The empirical formula, determined from electron-microprobe analyses, is (Mg0.94Cu0.03Mn0.02Ca0.01)Σ 1.00As0.96O5H3.19. Magnesiokoritnigite is triclinic, P, with a = 7.8702(7), b = 15.8081(6), c = 6.6389(14) Å, α = 90.814(6), β = 96.193(6), γ = 90.094(7)°, V = 821.06(19) Å3 and Z = 8. The eight strongest X-ray powder diffraction lines are [dobs Å (I)(hkl)]: 7.96(100)(020), 4.80(54)(101), 3.791(85)(10,210,1,31), 3.242(56)(02,1,012), 3.157(92)(21,30,230), 3.021(61)(11,141,21,221), 2.798(41)(02,032) and 1.908(43)(multiple). The structure, refined to R1 = 5.74% for 2360 Fo > 4σF reflections, shows magnesiokoritnigite to be isostructural with koritnigite and cobaltkoritnigite.

Hydrothermal conversion of single crystals of calcite, CaCO3, dolomite, CaMg(CO3)2, and magnesite, MgCO3, was carried out in ammonium phosphate buffer solution. While calcite easily forms a pseudomorph of hydroxylapatite, Ca5(PO4)3OH, it takes several weeks to convert magnesite into pseudomorphic dittmarite, (NH4)Mg(PO4)·H2O. The conversion of dolomite, as the compositional intermediate, also proceeded slowly, but yielded a biphasic pseudomorph composed of whitlockite, Ca9Mg(PO4)6O(PO3OH), and dittmarite. To our knowledge, this is the first description of a biphasic pseudomorph with chemically and structurally different phases. Near the surface, the two phases formed a porous layered structure, while towards the core of the single crystal a fine-grained mixture of both minerals precipitated. The initially sequential pattern of precipitation of Ca-rich whitlockite followed by Mg-rich dittmarite can be explained by dissolved Mg ions being adsorbed onto the dolomite surface or incorporated into hydrated magnesium complexes, retarding crystallization of dittmarite. Surface adsorbed Mg ions impeding further dissolution of dolomite also partly accounts for the observed lower reaction rates of dolomite and magnesite, as compared to calcite. An additional factor decreasing the reaction rates of dolomite and magnesite is a considerable increase in molar volume upon conversion, which restricts the formation of porosity and, hence, ion transport to the reaction front.

Electron microprobe analysis of barikaite (Topa et al., 2013) indicates the chemical formula Ag2.90Tl0.04Pb9.31As11.26Sb8.12S40.37. Barikaite is monoclinic, with a 8.533(1) Å, b 8.075(1) Å, c 24.828(2) Å, and β 99.077(1)°; unit-cell volume 1689.2 Å3 and the space-group setting is P21/n. This compares well with the unit-cell parameters of rathite Pb10Tl0.9As17.9Sb1.3Ag2S40 from the Lengenbach deposit with the same lattice setting. Barikaite is a member of sartorite homologous series (N = 4). The unit cell of barikaite contains eight cation sites and ten anion sites. Four of the cation sites have mixed occupancies – the split sites As2–Sb2, As3–Sb3, Ag5–As5 and the site Me6 with three cations involved. Two of the lead sites, Pb1 and Pb2, display tricapped trigonal prismatic coordinations and alternate along the 8.53 Å a direction. They form zig-zag walls parallel to (001). There are three distinct [100] columns of alternating cations, As1–(As, Sb)2, Sb4–(As, Sb)3 and (As, Ag)5–(Pb, Sb)6 which together form trapezoidally configured single (013) layers. These layers aggregate into tightly-bonded double layers, separated by lone electron pair micelles. In barikaite, the predominantly As-occupied and Sb-occupied sites are distributed in a chess-board-like scheme.

The new mineral, vanadoallanite-(La), found in the stratiform ferromanganese deposit from the Shobu area, Ise City, Mie Prefecture, Japan, was studied using electron microprobe analysis and single-crystal X-ray diffraction methods. Vanadoallanite-(La) is a rare-earth element-rich monoclinic epidote-supergroup mineral with simplified formula CaLaV3+AlFe2+(SiO4)(Si2O7)O(OH) (Z = 2, space group P21/m) characterized by predominantly V3+ at one of three octahedral sites, M1. The crystal studied shows large V (∼8.4 V2O3 wt.%), Fe (∼13.8 Fe2O3 wt.%; Fe2+/total Fe = 0.58) and Mn (∼8.8 MnO wt.%) contents. A small amount of Ti is also present (∼1.3 TiO2 wt.%). Structural refinement converged to R1 = 2.96%. The unit-cell parameters are a = 8.8985(2), b = 5.7650(1), c = 10.1185(2) Å, β = 114.120(1)° and V = 473.76(2) Å3. The cation distributions determined at A1,A2 and M3 are Ca0.61Mn0.39, (La0.46Ce0.14Pr0.07Nd0.18)Σ0.85Ca0.15 and Fe2+0.56Mn2+0.30Mg0.06V3+0.05Fe3+0.03, respectively. On the other hand, depending on Ti assignment, two different schemes of the cation distribution at M1 and M2 can be considered: (1) M1(V3+0.58Fe3+0.34Ti4+0.08) M2(Al0.92Fe3+0.08), and (2) M1(V3+0.58Fe3+0.42)M2(Al0.92Ti4+0.08). In both cases, the dominant cations at A1, A2, M1, M2 and M3 are Ca, La, V3+, Al and Fe2+ , respectively. According to ionic radius, Ti4+ possibly prefers M2 rather than Fe3+. A large Mn2+ content at A1 also characterizes our vanadoallanite-(La). The structural change of Mn2+-rich allanite-group minerals is considered to be controlled by two main factors. One is the large Mn2+ content at A1 in vanadoallanite-(La), which modifies the topology of the A1O9 polyhedron. The other is the expansion of M3O6 and M1O6 octahedra caused by large octahedral cations, such as Fe2+ and Mn2+, at M3 and the trivalent transition elements, V3+ and Fe3+, at M1.

Oxyplumboroméite, Pb2Sb2O7, is a new mineral of the roméite group of the pyrochlore supergroup (IMA 2013-042). It is found together with calcite and leucophoenicite in fissure fillings in tephroite skarn at the Harstigen mine, Värmland, Sweden. The mineral occurs as yellow to brownish yellow rounded grains or imperfect octahedra. Oxyplumboroméite has a Mohs hardness of ∼5, a calculated density of 6.732 g/cm3 and is isotropic with a calculated refractive index of 2.061. Oxyplumboroméite is cubic, space group Fdm, with the unit-cell parameters a = 10.3783(6) Å, V = 1117.84(11) Å3 and Z = 8. The strongest five X-ray powder-diffraction lines [d in Å(I)(hkl)] are: 2.9915(100)(222), 2.5928(32)(400), 1.8332(48)(440), 1.5638(38)(622) and 1.1900(12)(662). The crystal structure of oxyplumboroméite was refined to an R1 index of 3.02% using 160 unique reflections collected with MoKα radiation. Electron microprobe analyses in combination with crystal-structure refinement, infrared, Mössbauer and electronic absorption spectroscopy resulted in the empirical formula A(Pb0.92Ca0.87Mn0.09Sr0.01Na0.05)Σ1.93B(Sb1.73Fe3+0.27)Σ2.00X+Y[O6.64(OH)0.03]Σ6.67. Oxyplumboroméite is the Pb analogue of oxycalcioroméite, ideally Ca2Sb2O7.

Chemical and structural data are reported for platinum–palladium intermediates from two nuggets found at Córrego Bom Sucesso, Minas Gerais, Brazil. Three grains with simple stoichiometries (i.e. PtxPd1−x with x ∼0.67, ∼0.5 and ∼0.33, which correspond to Pt2Pd, PtPd and PtPd2, respectively) were characterized by single-crystal X-ray diffraction and electron-probe microanalysis. In the absence of single-crystal data it might be tempting to hypothesize that such simple stoichiometries represent distinct mineral species, however structural analyses show that all of the phases are cubic and crystallize in space group Fmm. They are, therefore, natural intermediates in the palladium–platinum solid solution. Reflectance and micro-hardness values are reported for the samples and a comparison with the pure metallic elements made. On the basis of information gained from the chemical and structural characterization it can be concluded that there is a complete solid solution between Pt and Pd in nature. These findings corroborate results from experiments on synthetic compounds.

The new mineral aluminopyracmonite, ideally (NH4)3Al(SO4)3, was found in a medium-temperature (∼250°C) intracrater active fumarole at La Fossa crater, Vulcano, Aeolian Islands, Sicily, Italy. It occurs on a pyroclastic breccia as colourless to white prismatic crystals up to 0.2 mm long, in association with adranosite, mascagnite, alunite and salammoniac. The mineral is identical to the synthetic compound (NH4)3Al(SO4)3. It is trigonal, space group: R (no. 148) with a = 15.0324(8), c = 8.8776(5) 5, V = 1737.3(2) Å3 and Z = 6. The six strongest reflections in the X-ray powder diffraction pattern are: [dobs in Å (I)(hkl)] 3.336(100)(131), 7.469(62)(1 1 0), 3.288(60)(122), 4.289(45)(31), 2.824(29)(51), 4.187(27) (012). The empirical formula based on 12 anions is [(NH4)2.89K0.10]Σ 2.99(Al1.18Fe0.01)Σ 1.19S2.91O12, and the simplified formula (NH4,K)3Al(SO4)3. The measured density is 2.12(1) g/cm3, calculated density 2.143 g/cm3. The mineral is uniaxial(–) with ω = 1.545(3) and ε = 1.532(3) (λ = 589 nm). Using single-crystal diffraction data, the structure was refined to a final R(F) = 0.0258 for 998 independent observed reflections [I > 2σ(I)]. In spite of having unitcell parameters comparable with those of pyracmonite, the two minerals are not isostructural; the difference is related to a disordered conformation of the sulfate anions about the two independent Al3+ ions in aluminopyracmonite.

The crystal structure of kyzylkumite, ideally Ti2V3+O5 (OH), from the Sludyanka complex in South Baikal, Russia was solved and refined (including the hydrogen atom position) to an agreement index, R1, of 2.34% using X-ray diffraction data collected on a twinned crystal. Kyzylkumite crystallizes in space group P21/c, with a = 8.4787(1), b = 4.5624(1), c = 10.0330(1) Å , β = 93.174(1)º, V = 387.51(1) Å3 and Z = 4. Tivanite, TiV3+O3OH, and kyzylkumite have modular structures based on hexagonal close packing of oxygen, which are made up of rutile [TiO2] and montroseite [V3+O(OH)] slices. In tivanite the rutile:montroseite ratio is 1:1, in kyzylkumite the ratio is 2:1. The montroseite module may be replaced by the isotypic paramontroseite V4+O2 module, which produces a phase with the formula Ti2V4+O6. In the metamorphic rocks of the Sludyanka complex, vanadium can be present as V4+ and V3+ within the same mineral (e.g.in batisivite, schreyerite and berdesinskiite). Kyzylkumite has a flexible composition with respect to the M4+/M3+ ratio. The relationship between kyzylkumite and a closely related Be-bearing kyzylkumite-like mineral with an orthorhombic norbergite-type structure from Byrud mine, Norway is discussed. Both minerals have similar X-ray powder diffraction patterns.

Dervillite, As2AsS2, has been found in a sample from the Lengenbach quarry in the Binn Valley, Valais, Switzerland. It occurs as very rare crystals up to 200 μm across on jordanite. Dervillite is opaque with a metallic lustre and shows a dark brown streak. The structure is monoclinic, space group Pc, with a = 9.6155(7), b = 12.9331(8), c = 6.8616(5) A ˚ , b = 99.352(8)º, V = 842.0(1) Å3 and Z = 8. In the crystal structure [R1 = 0.060 for 2370 reflections with I > 2σ(I)], silver adopts various coordinations extending from quasi linear to quasi tetrahedral whereas arsenic forms very peculiar crystal-chemical environments, such as As(S2As) and As(S2AsAg). Such metalloid–metalloid or metal–metalloid bonds account for the apparent charge imbalance observed in the chemical formula.

The crystal chemistry of a natural, gem-quality, blue-grey Zn-rich spinel crystal from Jemaa, Kaduna State, Nigeria, was studied using electron microprobe, single-crystal X-ray diffraction, optical absorption and Raman spectroscopies. The composition of the crystal approaches the gahnite endmember (ZnAl2O4), ∼94 mol.%, with the remainder being dominated by a hercynite component (FeAl2O4). The unit-cell dimension is 8.0850(3) Å and the tetrahedral and octahedral bond distances are determined as T–O 1.9485(6) Å and M–O 1.9137(3) Å. Crystal chemical analysis resulted in the empirical structural formula T(Zn0.94Fe2+0.03Al0.03)M (Al1.96Fe2+0.03Fe3+0.01)O4, which shows Zn and Al almost fully ordered in the tetrahedrally and octahedrally coordinated T and M sites, respectively. Raman spectra obtained using the excitation of the blue 473.1 nm line of a Nd:YAG laser display three of the five Raman-active modes predicted for the general oxide spinel group of minerals. These are the Eg mode at 420.6 cm–1 and the T2g modes at 510 cm–1 and 661 cm–1, due to vibrations in the AlO6 octahedra. Optical absorption spectra recorded in the UV/VIS-NIR-MIR range 2000 29000 cm–1 show a dominant absorption band at ∼5000 cm–1 which is caused by spin-allowed electronic d–d transitions in Fe2+ located at the T sites. The blue-grey hue exhibited by the sample is mainly due to spin-forbidden electronic transitions in TFe2+ and to MFe2+ ↔MFe3+ intervalence charge transfer, and the poor saturation of the colour is due to the small concentration of Fe2+ and Fe3+.

The crystal structure of mosandrite, ideally (Ca3REE)[(H2O)2Ca0.5☐0.5]Ti(Si2O7)2(OH)2(H2O)2, from the Saga mine, Morje, Porsgrunn, Norway, has been refined as two components related by the TWIN matrix ( 0 0, 0 0, 1 0 1): a 7.4222(3), b 5.6178(2), c 18.7232(7) Å, β 101.4226(6)°, V = 765.23(9) Å3, space group P21/c, Dcalc. = 3.361 g.cm–3, R1 = 3.69% using 1347 observed (Fo > 4σF) reflections. The empirical formula of mosandrite (EMPA) was calculated on the basis of 4 Si a.p.f.u., with H2O determined from structure refinement: [(Ca2.89Ba0.01)Σ2.90(Ce0.39La0.18Nd0.14Sm0.02Gd0.03Y0.16Th0.03)Σ1.01Zr0.09]Σ4 [(H2O)2.00Ca0.32Na0.17Al0.10Mn0.04Fe2+0.02☐0.35]Σ3(Ti0.87Nb0.09Zr0.04)Σ1(Si2O7)2[(OH)1.54F0.46]Σ2[(H2O)1.50F0.50]Σ2, Z = 2. The crystal structure of mosandrite is a framework of TS (titanium silicate) blocks; each TS block consists of HOH sheets (H-heteropolyhedral, O-octahedral). In the TS block, there are five fully occupied cation sites, two [4]-coordinated Si sites with <Si–O> 1.623 Å , [7]-coordinated MH and AP sites occupied by Ca and REE in the ratio ∼3:1, and one [6]-coordinated Ti-dominant MO(1) site. There are two H2O-dominant H2O-alkali-cation sites. The partly occupied MO(2) site has composition [(H2O)0.5☐0.33Na0.17], ideally [(H2O)0.5☐0.5] p.f.u. The MO(3) site has ideal composition [(H2O)1.5Ca0.5] p.f.u. In the O sheet, the XOM and XOA anion sites have compositions [(OH)1.54F0.46] (XOM) and [(H2O)1.50F0.50] (XOA), ideally (OH)2 and (H2O)2 p.f.u. The MH and AP polyhedra and Si2O7 groups constitute the H sheet that is completely ordered. In the O sheet, MO(1) octahedra are long-range ordered whereas H2O and OH groups and alkali cations Na and Ca are long-range disordered. Two SRO (short-range ordered) arrangements have been proposed for the O sheet: (1) Na [MO(2)], Ca2 [MO(3)] and F4[XOM and XOA anion sites]; (2) 2 H2O [MO(2)] and MO(3)] and (OH)2 and (H2O)2 [XOM and XOA]. Linkage of H and O sheets occurs mainly via common vertices of MH polyhedra and Si2O7 groups and MO(1) octahedra. Two adjacent TS blocks are related by the glide plane cy. Mosandrite is an H2O- and OH-bearing Na- and Ca-depleted analogue of rinkite, ideally (Ca3REE)Na(NaCa) Ti(Si2O7)2(OF)F2. Mosandrite and rinkite are related by the following substitution at the MO(2,3) and XO(M,A) sites in the O sheet: M[(H2O)2 + ☐0.5] + X[(OH)–2 + (H2O)2] ↔ M[Na+2 + Ca2+0.5] + X[(OF)3– + (F2)2–].

Camaronesite (IMA 2012-094), [Fe3+(H2O)2(PO3OH)]2(SO4)·1–2H2O, is a new mineral from near the village of Cuya in the Camarones Valley, Arica Province, Chile. The mineral is a low-temperature, secondary mineral occurring in a sulfate assemblage with anhydrite, botryogen, chalcanthite, copiapite, halotrichite, hexahydrite, hydroniumjarosite, pyrite, römerite, rozenite and szomolnokite. Lavender-coloured crystals up to several mm across form dense intergrowths. More rarely crystals occur as drusy aggregates of tablets up to 0.5 mm in diameter and 0.02 mm thick. Tablets are flattened on {001} and exhibit the forms {001}, {104}, {015} and {018}. The mineral is transparent with white streak and vitreous lustre. The Mohs hardness is 2½, the tenacity is brittle and the fracture is irregular, conchoidal and stepped. Camaronesite has one perfect cleavage on {001}. The measured and calculated densities are 2.43(1) and 2.383 g/cm3, respectively. The mineral is optically uniaxial (+) with ω = 1.612(1) and ε = 1.621(1) (white light). The pleochroism is O (pale lavender) > E (colourless). Electron-microprobe analyses provided Fe2O331.84, P2O529.22, SO315.74, H2O 23.94 (based on O analyses), total 100.74 wt.%. The empirical formula (based on 2 P a.p.f.u.) is: Fe1.94(PO3OH)2(S0.96O4)(H2O)4·1.46H2O. The mineral is slowly soluble in concentrated HCl and extremely slowly soluble in concentrated H2SO4. Camaronesite is trigonal, R32, with cell parameters:a = 9.0833(5), c = 42.944(3) Å, V = 3068.5(3) Å3 and Z = 9. The eight strongest lines in the X-ray powder diffraction pattern are [dobs Å (I)(hkl)]: 7.74(45)(101), 7.415(100)(012), 4.545(72)(110), 4.426(26)(018), 3.862(32)(021,202,116), 3.298(93)(027,119), 3.179(25)(208) and 2.818(25)(1·1·12,125). In the structure of camaronesite (R1 = 2.28% for 1138 Fo > 4σF), three types of Fe octahedra are linked by corner sharing with (PO3OH) tetrahedra to form polyhedral layers perpendicular to c with composition [Fe3+(H2O)2(PO3OH)]. Two such layers are joined through SO4 tetrahedra (in two half-occupied orientations) to form thick slabs of composition [Fe3+(H2O)2(PO3OH)]2(SO4). Between the slabs are partially occupied H2O groups. The only linkages between the slabs are hydrogen bonds. The most distinctive component in the structure consists of two Fe octahedra linked to one another by three PO4 tetrahedra yielding an [Fe2(PO4)3] unit. This unit is also the key component in the sodium super-ionic conductor (NASICON) structure and has been referred to as the lantern unit. The polyhedral layers in the structure of camaronesite are similar to those in the structure of taranakite. The Raman spectrum exhibits peaks consistent with sulfate, phosphate, water and OH groups.

Structural complexity of minerals is characterized using information contents of their crystal structures calculated according to the modified Shannon formula. The crystal structure is considered as a message consisting of atoms classified into equivalence classes according to their distribution over crystallographic orbits (Wyckoff sites). The proposed complexity measures combine both size- and symmetry-sensitive aspects of crystal structures. Information-based complexity parameters have been calculated for 3949 structure reports on minerals extracted from the Inorganic Crystal Structure Database. According to the total structural information content, IG, total, mineral structures can be classified into very simple (0–20 bits), simple (20–100 bits), intermediate (100–500 bits), complex (500–1000 bits), and very complex (> 1000 bits). The average information content for mineral structures is calculated as 228(6) bits per structure and 3.23(2) bits per atom. Twenty most complex mineral structures are (IG, total in bits): paulingite (6766.998), fantappieite (5948.330), sacrofanite (5317.353), mendeleevite-(Ce) (3398.878), bouazzerite (3035.201), megacyclite (2950.928), vandendriesscheite (2835.307), giuseppetite (2723.097), stilpnomelane (2483.819), stavelotite-(La) (2411.498), rogermitchellite (2320.653), parsettensite (2309.820), apjohnite (2305.361), antigorite (m = 17 polysome) (2250.397), tounkite (2187.799), tschoertnerite (2132.228), farneseite (2094.012), kircherite (2052.539), bannisterite (2031.017), and mutinaite (2025.067). The following complexity-generating mechanisms have been recognized: modularity, misfit relationships between structure elements, and presence of nanoscale units (clusters or tubules). Structural complexity should be distiguished from topological complexity. Structural complexity increases with decreasing temperature and increasing pressure, though at ultra-high pressures, the situation may be different. Quantitative complexity measures can be used to investigate evolution of information in the course of global and local geological processes involving formation and transformation of crystalline phases. The information-based complexity measures can also be used to estimate the 'ease of crystallization' from the viewpoint of simplexity principle proposed by J.R. Goldsmith (1953) for understanding of formation of simple and complex mineral phases under both natural and laboratory conditions. According to the proposed quantitative approach, the crystal structure can be viewed as a reservoir of information encoded in its complexity. Complex structures store more information than simple ones. As erasure of information is always associated with dissipation of energy, information stored in crystal structures of minerals must have an important influence upon natural processes. As every process can be viewed as a communication channel, the mineralogical history of our planet on any scale is a story of accumulation, storage, transmission and processing of structural information.

Kleberite, ideally Fe3+Ti6O11(OH)5, is a new mineral (IMA 2012-023) from Tertiary sands at Königshain, Saxony, northeast Germany. It is also found in heavy mineral sands from the Murray Basin, southeast Australia and at Kalimantan, Indonesia. It occurs as rounded anhedral to euhedral translucent grains, 0.04 0.3 mm across, which are generally red-brown, but grade to orange with decreasing iron content. Associated minerals include ilmenite, pseudorutile, 'leucoxene', tourmaline and spinel. The density measured by pycnometry is 3.28 g cm-3, which is lower than the calculated density of 3.91 g cm-3, due to intragrain porosity which is not penetrated by the immersion fluid. The intragrain pores, of median diameter 18 nm, are partially filled with impurity phases including kaolinite, diaspore and quartz. Kleberite grains have a uniaxial (–) character, but localized regions are weakly biaxial (–) with 2V close to zero. The mean refractive index, calculated from reflectance measurements, is 2.16(3). The mean empirical formula from electron-microprobe analyses of 15 Königshain kleberite grains is Fe3+1.01Mg0.06Ti6O11.2(OH)4.8[Al0.59Si0.31P0.04O1.60·1.8H2O], where the formula element in square brackets represents impurities in the pores. Kleberite forms over a compositional range with [Ti]/[Fe + Ti] atomic ratios from 0.8–0.9. It has monoclinic symmetry, P21/c, with a = 7.537(1), b = 4.5795(4), c = 9.885(1) Å , β = 131.02(1)°. The six strongest lines in the powder X-ray diffraction (XRD) pattern [listed as d in Å (I)] are as follows: 1.676(100), 2.170(82), 2.466(27), 1.423(22), 3.933(8), 2.764(9). The structure was refined by the Rietveld method on powder XRD data to Rp = 6.3, Rwp = 8.1, RB = 4.0. Kleberite is isostructural with tivanite; their structural formulae are [Ti4+3□][Ti4+3Fe3+]O11 (OH)5 and [Ti4+4][V3+4]O12(OH)4, respectively. Kleberite has dominant Ti4+ in place of V3+ in the M(2) metal-atom site. The related mineral pseudorutile, [Ti4][(Fe3+,Ti)4](O,OH)16, with Fe3+ > Ti4+ has dominant Fe3+ in this site. Kleberite grains from different localities commonly contain residual MgO-rich ferrian ilmenite. The chemical and physical relationships between the ilmenite and coexisting kleberite are used to evaluate different alteration mechanisms involving selective leaching of divalent oxides from ilmenite and pseudomorphic replacement reactions, respectively.

Paratacamite-(Mg) (IMA 2013-014), Cu3(Mg, Cu)Cl2(OH)6, is the new Mg-analogue of paratacamite. It was found near the village of Cuya in the Camarones Valley, Arica Province, Chile. The mineral is a supergene secondary phase occurring in association with anhydrite, atacamite, chalcopyrite, copiapite, dolomite, epsomite, haydeeite, hematite, magnesite and quartz. Paratacamite-(Mg) crystals are rhombs and thick to thin prisms up to 0.3 mm in size exhibiting the forms {201} and {001}. Twinning by reflection on {10} is common. The mineral is transparent with a vitreous lustre, with medium to deep-green colour and light-green streak. Mohs hardness is 3–3½, the tenacity is brittle and the fracture is conchoidal. Paratacamite-(Mg) has one perfect cleavage on {201}. The measured and calculated densities are 3.50(2) and 3.551 g cm–3, respectively. The mineral is optically uniaxial (–) with ε = 1.785(5) and ω > 1.8 and slight pleochroism: O (bluish green) > E (green). Electron-microprobe analyses provided the empirical formula Cu3(Mg0.60Cu0.38Ni0.01Mn0.01)Cl2(OH)6. The mineral is easily soluble in dilute HCl. Paratacamite-(Mg) is trigonal, R, with cell parameters a = 13.689(1), c = 14.025(1) Å, V = 2275.8(3) Å3 and Z = 12. There is a pronounced sub-cell corresponding to a' ≈ ½a, c' ≈ c in space group Rm. The eight strongest lines in the X-ray powder diffraction pattern are [dobs Å(I)(hkl)]: 5.469(87)(021), 4.686(26)(003), 2.904(34)(401), 2.762(100)(22,042), 2.265(81)(404), 1.819(26)(603), 1.710 (34)(440) and 1.380(19)(446). The structure was refined to R1 = 0.039 for 480 Fo > 4σF reflections. Refinement using interlayer Mg-Cu site scattering factors indicated that Mg is distributed statistically between both interlayer octahedra M1O6 and M2O6. A comparison of the distortions associated with M1O6 and M2O6 octahedra suggest that the sample is near the upper compositional limit for stability of the R phase.

Lead-bearing phyllotungstite from the Clara mine in the central Black Forest, Germany has a formula (Cs0.41)Na0.14K0.05Pb2+2.01Ca0.26[W6+10.87Fe3+3.13O35.75(OH)6.25](O(H2O)3). X-ray diffraction patterns exhibit pseudohexagonal symmetry, but refinement of single-crystal synchrotron data has shown that the true symmetry is orthorhombic, Cmcm, with a = 7.298(1), b = 12.640(2), c = 19.582(4) Å, and that the pseudohexagonal character is due to submicrometre-scale cyclical twinning by rotation about the pseudohexagonal c axis. The structure can be described in terms of an ordered intergrowth, parallel to (001), of (111)py blocks with pyrochlore-type structures, which are ~6 Å in width, and two-layer wide regions with a hexagonal tungsten bronze (HTB) type structure. Caesium atoms occupy 18-coordinate cavities in the HTB regions, and H2O molecules occupy Φ sites in the A2B2O6Φ pyrochlore blocks. The lowering of symmetry from hexagonal to orthorhombic is due to partial ordering of W and Fe in the octahedral B sites and of Pb and vacancies in the A sites of the pyrochlore blocks. The ideal formula for the intergrowth structure (with no vacancies) is C 2A10[B14(O,OH)42]Φ4, where C is the cavity site in the HTB slabs. The mineral has only 21% occupancy of the C site and 25% occupancy of the A site, but full occupancy of the Φ site. There may be some mixing of Cs and H2O between the C and Φ sites.

Oxo-magnesio-hastingsite, ideally NaCa2(Mg2Fe3+3)(Al2Si6)O22O2, is a new anhydrous amphibole from the Deeti volcanic cone in the Gregory rift (northern Tanzania). The mineral occurs as megacrysts up to 12 cm in size in crystal-rich tuff. Oxo-magnesio-hastingsite is brown with a vitreous lustre and has a perfect {110} cleavage. The measured density is 3.19(1) g/cm3. Ferri-kaersutite is biaxial (–), α = 1.706 (2), β = 1.715(2), γ = 1.720(2) (Na light, 589 nm). 2V (calc.) = 73°. Dispersion: r > v, weak; orientation: Y = b; Z ^ c = 8°; pleochroism: strong, Z: dark brown, Y: brown, X: light brown. The average chemical formula of the mineral derived from electron microprobe analyses, Mössbauer spectroscopy and direct water determination is (Na0.67K0.33)Σ1.00(Ca1.87Na0.14Mn0.01)Σ2.02(Mg3.27Fe3+1.25Ti0.44Al0.08)Σ5.04(Al1.80Si6.20O22)(O1.40OH0.60)Σ2.00. It has monoclinic symmetry, space group C2/m and unit-cell parameters a = 9.8837(3), b = 18.0662(6), c = 5.3107(2) Å, b = 105.278(1)o, V = 914.77(5) Å3, Z = 2. The five strongest powder-diffraction lines [d in Å, (I/Io), hkl] are: 3.383 (62) (131), 2.708 (97) (151), 2.555 (100) (), 2.349 (29) () and 2.162 (36) (261). The isotopic composition of H and O, as well as the concentration of trace elements in oxo-magnesio-hastingsite suggest its formation from a melt originated from a mantle source metasomatized by slab-derived fluids.

Fluorcalcioroméite, (Ca,Na)2Sb25+(O,OH)6F, is a new roméite-group, pyrochlore-supergroup mineral (IMA 2012-093), from Starlera mine, Ferrera, Hinterrhein district, Grischun, Switzerland. The intimately associated minerals are: braunite, hematite, calcite, quartz and, rarely, wallkilldellite-(Mn). It occurs as euhedral octahedra, untwinned, from 0.1 to 1 mm in size. The crystals are yellow to orange and translucent; the streak is white, and the lustre is vitreous to resinous. It is non-fluorescent under ultraviolet light. Mohs' hardness is ∼5½, tenacity is brittle. Cleavage is not observed; fracture is conchoidal. The calculated density is 5.113 g/cm3. The mineral is isotropic, ncalc. = 1.826. The Raman spectrum is dominated by bands of Sb–O octahedral bond stretching and O–Sb–O bending modes. The chemical composition (n = 13) is (by wavelength-dispersive spectroscopy (WDS), H2O calculated by difference, wt.%): Na2O 4.11, CaO 15.41, MnO 0.54, CuO 0.01, ZnO 0.01, PbO 0.02, Al2O3 0.10, FeO 0.50, Y2O3 0.07, SiO2 0.04, TiO2 0.01, UO2 0.01, Sb2O5 76.18, WO3 0.78, F 2.79, H2O 0.59, O = F–1.17, total 100.00. The empirical formula, based on 2 cations at the B site, is (Ca1.16Na0.56☐0.22Fe0.032+ Mn0.032+)Σ2.00(Sb5+1.98Al0.01W0.01)Σ2.00O6[F0.62(OH)0.28O0.06☐0.04]Σ1.00. The strongest eight X-ray powder-diffraction lines [d in Å (I)(hkl)] are: 5.934(81)(111), 3.102(20)(311), 2.969(100)(222), 2.572(6)(400), 1.979(7)(333), 1.818(8)(440), 1.551(15)(622), and 1.484(5)(444). The crystal structure refinement (R1 = 0.0106) gave the following data: cubic, Fdm, a = 10.2987(8) Å, V = 1092.31(15) Å3, Z = 8. Unit-cell parameters refined from the powder data are: a = 10.284(2), V = 1087.7(7) Å3, Z = 8.

Kudryavtsevaite, ideally Na3MgFe3+Ti4O12, is a new mineral from kimberlitic rocks of the Orapa area, Botswana. It occurs as rare prismatic crystals, up to 100 μm m across, associated with Mg-rich ilmenite, freudenbergite and ulvöspinel. Kudryavtsevaite is opaque with a vitreous lustre and shows a black streak. It is brittle; the Vickers hardness (VHN100) is 901 kg mm−2 (range: 876–925) (Mohs hardness ∼6). In reflected light, kudryavtsevaite is moderately bireflectant and very weakly pleochroic from dark grey to a slightly bluish grey. Under crossed polars, it is very weakly anisotropic with greyish-bluish rotation tints. Internal reflections are absent. Reflectance values (%), Rmin and Rmax, are: 21.3, 25.4 (471.1 nm), 20.6, 24.1 (548.3 nm), 20.0, 23.5 (586.6 nm) and 19.1, 22.4 (652.3 nm).

Kudryavtsevaite is orthorhombic, space group Pnma, with a = 27.714(1), b = 2.9881(3), c = 11.3564(6) Å, V = 940.5(1) Å3, and Z = 4. The crystal structure [R1 = 0.0168 for 819 reflections with I > 2σ(I)] consists of edge-sharing and corner-sharing chains composed of Mg, Fe3+ and Ti atoms coordinated by six atoms of oxygen and running along the b axis, with Na filling the tunnels formed by the chains. The eight strongest powder-diffraction lines [d in Å (I/I0) (hkl)] are: 7.17 (100) (301), 4.84 (70) (302), 2.973 (35) (901), 2.841 (50) (004), 2.706 (50) (902), 2.541 (50) (312), 2.450 (70) (611), and 2.296 (45) (612). The average results of 12 electron microprobe analyses gave (wt.%): Na2O 16.46(15), CaO 1.01(3), MgO 5.31(5), Fe2O3 22.24(32), Cr2O3 1.05(6), Al2O3 0.03(2), TiO2 53.81(50), total 99.91, corresponding to the empirical formula (Na2.89Ca0.10)Σ2.99(Ti3.67Fe1.523+Mg0.72Cr0.08)Σ5.99O12, or ideally Na3MgFe3+Ti4O12.

The new mineral has been approved by the IMA-CNMNC and named for Galina Kudryavtseva (1947–2006), a well known Russian mineralogist and founder of the Diamond Mineralogy Laboratory and scientific school for investigation of diamond mineralogy and geochemistry at the Lomonosov State University in Moscow, Russia.

Veblenite, ideally K2☐2Na(Fe2+5Fe3+4Mn2+7☐)Nb3Ti(Si2O7)2(Si8O22)2O6(OH)10(H2O)3, is a new mineral with no natural or synthetic analogues. The mineral occurs at Ten Mile Lake, Seal Lake area, Newfoundland and Labrador (Canada), in a band of paragneiss consisting chiefly of albite and arfvedsonite. Veblenite occurs as red brown single laths and fibres included in feldspar. Associated minerals are niobophyllite, albite, arfvedsonite, aegirine-augite, barylite, eudidymite, neptunite, Mn-rich pectolite, pyrochlore, sphalerite and galena. Veblenite has perfect cleavage on {001} and splintery fracture. Its calculated density is 3.046 g cm–3. Veblenite is biaxial negative with α 1.676(2), β 1.688(2), γ 1.692(2) (λ 590 nm), 2Vmeas = 65(1)°, 2Vcalc = 59.6°, with no discernible dispersion. It is pleochroic in the following pattern: X = black, Y = black, Z = orange-brown. The mineral is red-brown with a vitreous, translucent lustre and very pale brown streak. It does not fluoresce under short and long-wave UV-light. Veblenite is triclicnic, space group P, a 5.3761(3), b 27.5062(11), c 18.6972(9) Å, α 140.301(3), β 93.033(3), γ 95.664(3)°, V = 1720.96(14) Å3. The strongest lines in the X-ray powder diffraction pattern [d(Å)(I)(hkl)] are: 16.894(100)(010), 18.204(23)(01), 4.271(9)(, 040, 120), 11.661(8)(001), 2.721(3)(), 4.404(3)(, ), 4.056(3)(031, 12; , ), 3.891(2)(003).

The chemical composition of veblenite from a combination of electron microprobe analysis and structural determination for H2O and the Fe2+/Fe3+ ratio is Nb2O5 11.69, TiO2 2.26, SiO2 35.71, Al2O3 0.60, Fe2O3 10.40, FeO 11.58, MnO 12.84, ZnO 0.36, MgO 0.08, BaO 1.31, SrO 0.09, CaO 1.49, Cs2O 0.30, K2O 1.78, Na2O 0.68, H2O 4.39, F 0.22, O = F –0.09, sum 95.69 wt.%. The empirical formula [based on 20 (Al+Si) p. f. u. is (K0.53Ba0.28Sr0.03☐0.16)Σ1(K0.72Cs0.07☐1.21)Σ2(Na0.72Ca0.17☐1.11)Σ2(Fe2+5.32Fe3+4.13Mn2+5.97Ca0.70Zn0.15Mg0.07☐0.66)Σ17(Nb2.90Ti0.93Fe3+0.17)Σ4(Si19.61Al0.39)Σ20O77.01H16.08F0.38. The simplified formula is (K, Ba, ☐)3(☐, Na)2(Fe2+, Fe3+, Mn2+)17(Nb,Ti)4(Si2O7)2(Si8O22)2O6(OH)10(H2O)3. The infrared spectrum of the mineral contains the following bands (cm–1): 453, 531, 550, 654 and 958, with shoulders at 1070, 1031 and 908. A broad absorption was observed between ~3610 and 3300 with a maximum at ~3525. The crystal structure was solved by direct methods and refined to an R1 index of 9.1%. In veblenite, the main structural unit is an HOH layer, which consists of the octahedral (O) and two heteropolyhedral (H) sheets. The H sheet is composed of Si2O7 groups, veblenite Si8O22 ribbons and Nb-dominant D octahedra. This is the first occurrence of an eight-membered Si8O22 ribbon in a mineral crystal structure. In the O sheet, (Fe2+, Fe3+, Mn2+) octahedra share common edges to form a modulated O sheet parallel to (001). HOH layers connect via common vertices of D octahedra and cations at the interstitial A(1,2) and B sites. In the intermediate space between two adjacent HOH layers, the A(1) site is occupied mainly by K; the A(2) site is partly occupied by K and H2O groups, the B site is partly occupied by Na. The crystal structure of veblenite is related to several HOH structures: jinshanjiangite, niobophyllite (astrophyllite group) and nafertisite. The mineral is named in honour of David R. Veblen in recognition of his outstanding contributions to the fields of mineralogy and crystallography.