Raman spectroscopic analysis was performed on columbite-(Mn) samples from a variety of previously studied rare-element pegmatites in Xinjiang, China, including the Jing'erquan No. 1 spodumene-subtype, Dakalasu No. 1 beryl–columbite-subtype and Kalu'an spodumene-subtype pegmatites, to quantify the relationship between the degree of metamictisation of columbite and Raman spectra. For all of the analysed columbites-(Mn), the position (p) and the full width at half maximum (FWHM) of the strongest band, A1g vibration mode related to the Nb/Ta–O bond, in the Raman spectra have a negative correlation. Combined with previously determined U–Pb isotopic data and major–minor-element data for the columbites-(Mn), the degree of metamictisation was quantified using the alpha-decay dose (D) and displacement per atom (dpa), both of which were corrected for effects caused by annealing. The results demonstrate that the columbite-(Mn) from Jing'erquan and Kalu'an are very crystalline, whereas those from Dakalasu are transitional between crystalline and amorphous stages. The main factor influencing the key parameters, i.e. band position and FWHM, of the strongest Raman band of columbite-(Mn) is metamictisation caused by radiation damage, whereas composition and crystal orientation have limited influence. A set of equations are established to quantify the degree of metamictisation of columbite using the band position and the full width at half maximum: FWHM = 8.309 × ln(aD) + 30.11 (R2 = 0.9861); p = –5.187 × ln(aD) + 867.09 (R2 = 0.966); FWHM = 8.1453 × ln(adpa) + 48.425 (R2 = 0.9822); and p = –5.078 × ln(adpa) + 855.67 (R2 = 0.9594).

The new mineral shinarumpite (IMA2021-105), [Co(H2O)6][(UO2)(SO4)2(H2O)]⋅4H2O, was found in the Scenic mine on Fry Mesa, White Canyon district, San Juan County, Utah, USA, where it occurs as a secondary phase on granular quartz matrix in association with gypsum, deliensite, Co-rich rietveldite, scenicite, shumwayite and sulfur. Shinarumpite crystals are transparent, yellow, blades or prisms, up to 1 mm in length. The mineral has white streak, vitreous lustre and is nonfluorescent. It is brittle with irregular, curved fracture. The Mohs hardness is ~2½ and it has a perfect {100} cleavage. The density is 2.58(2) g⋅cm–3. Optically, the mineral is biaxial (–) with α = 1.515(2), β = 1.526(2), γ = 1.529(2) (white light); 2V = 55(1)°; extreme r < v dispersion; orientation: Z = b, X ^ a = 30° in obtuse β; pleochroism: X = very pale yellow, Y = pale yellow, Z = light yellow; X < Y < Z. The Raman spectrum exhibits bands consistent with UO22+, SO42– and O–H. Electron microprobe analysis provided the empirical formula [(Co0.51Ni0.28Fe0.21)Σ1.00(H2O)6][(UO2)(SO4)2(H2O)]⋅4H2O. The five strongest powder X-ray diffraction lines are [dobs Å(I)(hkl)]: 10.37(100)(200), 5.73(43)(111), 5.20(70)(400, 202, 211), 4.70(31)($\bar{3}$11) and 3.326(30)(213, 021). Shinarumpite is monoclinic, P21/c, a = 21.0549(15), b = 6.8708(5), c = 12.9106(5), β = 96.678(7)°, V = 1885.03(17) Å3 and Z = 4. In the structure of shinarumpite (R1 = 0.0336 for 2623 I > 2σI), linkages of pentagonal bipyramids and tetrahedra form an infinite [(UO2)(SO4)2(H2O)]2– sheet. Isolated Co(H2O)6 octahedra and H2O groups occupy the interlayer region linking the sheets via an extensive system of hydrogen bonds. The structure of shinarumpite is very similar to that of leydetite. Uranyl sulfate structural unit types are discussed with respect to frequency and charge deficiency per anion (CDA).

The minerals of carletonite group, fluorcarletonite, KNa4Ca4[Si8O18](CO3)4(F,OH)·H2O and carletonite, Na4Ca4[Si8O18](CO3)4(OH,F)·H2O, were investigated using a multi-method approach. A detailed comparative chemical study of the minerals was carried out using electron probe microanalysis and Fourier transform infrared spectroscopy. Using X-ray techniques and the results obtained, geometrical and distortion characteristics of the mineral structures are calculated and the successful crystal-structure refinement of these two natural compounds are given. Using spectroscopic and luminescence methods and ab initio calculations, it is shown that hole defects (CO3)•– are responsible for the colouration of the samples studied. Luminescence due to 5d–4f transition in Ce3+ ions is observed in both investigated compounds. Moreover, luminescence attributed to intrinsic luminescence, corresponding to the decay of electronic excitations of (CO3)2– complexes in the carletonite sample, is registered for the first time in phyllosilicates. An analysis of the optical absorption spectra and g-tensor values suggests that (CO3)•– defects in the crystal structure are localised in the C1 positions. Identification of these specific properties for these sheet silicates, with a two-dimensional infinite tetrahedral polymerisation, indicates that carletonites could be prospective materials for novel phosphors and luminophores.

The Maršíkov–Schinderhübel III pegmatite in the Hrubý Jeseník Mountains, Silesian Domain, Czech Republic, is a classic example of chrysoberyl-bearing LCT granitic pegmatite of beryl–columbite subtype. This thin pegmatite dyke, (up to 1 m in thickness in biotite–amphibole gneiss is characterised by symmetrical internal zoning. Tabular and prismatic chrysoberyl crystals (≤3 cm) occur typically in the intermediate albite-rich unit and rarely in the quartz core. Chrysoberyl microtextures are quite complex; their crystals are irregularly patchy, concentric or fine oscillatory zoned with large variations in Fe content (1.1–5.3 wt.% Fe2O3; ≤0.09 apfu). Chrysoberyl compositions reveal dominant Fe3+ = Al3+ and minor Fe2+ + Ti4+ = 2(Al, Fe)3+ substitution mechanisms in the octahedral sites. Tin, Ga, and V (determined by LA-ICP-MS) are characteristic trace elements incorporated in the chrysoberyl structure, whereas anomalously high Ta and Nb concentrations (thousands ppm) in chrysoberyl are probably caused by nano- to micro-inclusions of Nb–Ta oxide minerals; especially columbite–tantalite. Textural relationships between associated minerals, distinct schistosity of the pegmatite parallel to the host gneiss foliation and fragmentation of the pegmatite body into blocks as a result of superimposed stress are clear evidence for deformation and metamorphic overprinting of the pegmatite. Primary magmatic beryl, albite and muscovite were transformed to chrysoberyl, fibrolitic sillimanite, secondary quartz and muscovite during a high-temperature (~600°C) and medium-pressure (~250–500 MPa) prograde metamorphic stage under amphibolite-facies conditions. A subsequent retrograde, low-temperature (~200–500°C) and pressure (≤250 MPa) metamorphic stage resulted in the local alteration of chrysoberyl to secondary Fe,Na-rich beryl, euclase, bertrandite and late muscovite.

The new mineral argentopolybasite, ideally Ag16Sb2S11, was found at the Kremnica Au–Ag epithermal deposit, Žiar nad Hronom Co., Banská Bystrica Region, Slovakia (type locality), Šibeničný vrch near Nová Baňa, Žarnovica Co., Banská Bystrica Region, Slovakia (cotype locality) and the Arykevaam epithermal Au–Ag deposit, Anadyr’ District, Chukotka Autonomous Okrug, Russian Federation (cotype locality). At the Kremnica deposit argentopolybasite was found as discrete, well-developed (pseudo)hexagonal tabular crystals up to 4 mm in size or as complex crystalline aggregates and groups up to 5 mm in size in cavities of quartz. It is associated with pyrargyrite, polybasite, stephanite, miargyrite, rozhdestvenskayaite-(Zn), argentotetrahedrite-(Zn), naumannite, gold and pyrite. Argentopolybasite is dark grey to black, with a black streak and metallic to opaque lustre. The Mohs hardness is ~3. It is brittle with no observable cleavage and with a conchoidal fracture. The calculated density is 6.403 g⋅cm–3. In reflected light, argentopolybasite is grey, with no observable bireflectance and very weak pleochroism. It shows moderate anisotropy in crossed polarisers with weak greenish and green–blue tints. The reflectance values for wavelengths recommended by the Commission on Ore Mineralogy of the IMA are (Rmin/Rmax, %): 30.3/31.0 (470 nm), 28.8/29.3 (546 nm), 28.1/28.6 (589 nm) and 27.4/27.8 (650 nm). The empirical formulae (based on 29 apfu) are, Kremnica: (Ag15.94Cu0.18)Σ16.12(Sb1.40As0.61)Σ2.01(S10.60Se0.25Cl0.03)Σ10.88, Nová Baňa: Ag16.30(Sb1.74As0.22)Σ1.96(S10.69Cl0.04)Σ10.73 and Arykevaam: (Ag15.54Cu0.38)Σ15.92(Sb1.56As0.51)Σ2.07S11.01. The ideal end-member formula for argentopolybasite is Ag16Sb2S11. Argentopolybasite is trigonal, space group P321, a = 15.0646(5) Å, c = 12.2552(5) Å, V = 2408.61(15) Å3 and Z = 2. The seven strongest powder X-ray diffraction lines are [dobs in Å, (I), hkl]: 12.169, (40), 001; 3.162, (100), 041; 3.045, (54), 004; 2.881, (45), 042; and 2.4256, (28), 421. The crystal structure of argentopolybasite from Kremnica, refined to Robs = 0.0741 for 2804 observed reflections, confirmed that the atomic arrangement is isotypic to that of the other members of the polybasite group and it is isostructural with argentopearceite.

Rh-rich and Ir-poor erlichmanite–laurite OsS2–RuS2 solid solutions have been discovered at placers in Haraigawa, Misato-machi, Kumamoto, Japan. Microprobe analysis was performed to identify solid solutions containing few sub-components other than Rh. Approximately 10 at.% Rh was found to be present in the solid-solution samples. Structural refinement was performed using four natural samples: Os0.32Ru0.61Rh0.07S2, Os0.49Ru0.43Rh0.08S2, Os0.58Ru0.33Rh0.08S2 and Os0.81Ru0.09Rh0.10S2. The unit-cell parameters for the solid solutions containing Rh from Haraigawa varied from 5.61826(6) to 5.63142(8) Å. The (Os, Ru, Rh)–S distances in the Os1–x–yRuxRhyS2 system were almost constant with a small variation of 0.001 Å. Conversely, the S–S distances varied significantly, with variations approaching 0.1 Å. Rh substitution of Os rather than Ru had a larger impact on the crystal structure. The atomic displacement ellipsoid of both cations and anions was almost spherical, and no elongation along the M–S and S–S bond directions was observed. The bulk Debye temperatures were estimated from the Debye–Waller factor for the sulfide site. The bulk Debye temperatures of pure OsS2 and RuS2 were 688 K and 661 K, respectively, which suggests that the melting point of erlichmanite is higher than that of laurite. The high Debye temperature of OsS2 is inconsistent with the crystallisation of laurite prior to erlichmanite from the primitive magma, which suggests that $f_{\rm S_2}$, rather than temperature, is the main cause of the known crystallisation order. The presence of several percent Rh has a significant effect on the thermal stability of OsS2 and lowers the melting point of the erlichmanite solid solution compared to that of the laurite solid solution.

A new mineral species, bernardevansite (IMA2022-057), ideally Al2(Se4+O3)3⋅6H2O, has been discovered from the El Dragón mine, Potosí Department, Bolivia. It occurs as aggregates or spheres of radiating bladed crystals on a matrix consisting of Co-bearing krut'aite–penroseite. Associated minerals are Co-bearing krut'aite–penroseite, chalcomenite and ‘clinochalcomenite’. Bernardevansite is colourless in transmitted light, transparent with white streak and vitreous lustre. It is brittle and has a Mohs hardness of 2½–3. Cleavage is not observed. The measured and calculated densities are 2.93(5) and 2.997 g/cm3, respectively. Optically, bernardevansite is biaxial (+), with α = 1.642(5), β = 1.686(5) and γ = 1.74(1) (white light). An electron microprobe analysis yielded an empirical formula (based on 15 O apfu) (Al1.26Fe3+0.82)Σ2.08(Se0.98O3)3⋅6H2O, which can be simplified to (Al,Fe3+)2(SeO3)3⋅6H2O.

Bernardevansite is the Al-analogue of mandarinoite, Fe3+2(SeO3)3⋅6H2O or dimorphous with P$\bar{6}$2c alfredopetrovite. It is monoclinic, with space group P21/c and unit-cell parameters a = 16.5016(5), b = 7.7703(2), c = 9.8524(3) Å, β = 98.258(3)°, V = 1250.21(6) Å3 and Z = 4. The crystal structure of bernardevansite consists of a corner-sharing framework of M3+O6 (M = Al and Fe) octahedra and Se4+O3 trigonal pyramids, leaving large voids occupied by the H2O groups. There are two unique M3+ positions: M1 is octahedrally coordinated by (4O + 2H2O) and M2 by (5O + H2O). The structure refinement indicates that Al preferentially occupies M1 (= 0.692Al + 0.308Fe) over M2 (= 0.516Al + 0.484Fe). The substitution of the majority of Fe in mandarinoite by Al results in a significant reduction in its unit-cell volume from 1313.4 Å3 to 1250.21(6) Å3 for bernardevansite. The discovery of bernardevansite begs the question whether the Fe3+ end-member, Fe3+2(SeO3)3⋅6H2O, has two polymorphs as well, one with P21/c symmetry, as for mandarinoite and the other P$\bar{6}$2c, as for alfredopetrovite.

The paragenesis and composition of bavenite–bohseite were investigated in fifteen granitic pegmatites from the Bohemian Massif, Czech Republic. Three types distinct in their relation to primary Be precursors, mineral assemblages, morphology and origin were recognised: (1) primary hydrothermal bavenite–bohseite crystallised in miarolitic pockets from residual pegmatite fluids; and secondary bavenite–bohseite in two distinct types: (2) a proximal type restricted spatially to pseudomorphs after a primary Be mineral (beryl > phenakite, helvine–danalite); and (3) a distal type on brittle fractures and fissures of host pegmatite. The mineral assemblages are highly variable: (1) axinite-(Mn), smectite, calcite and pyrite; (2) bertrandite, milarite, secondary beryl, bazzite, K-feldspar, muscovite–illite, scolecite, gismondine-Ca, analcime, chlorite; and (3) muscovite, albite, quartz, epidote, pumpellyite-(Mg), pumpellyite-(Fe3+), titanite and chlorite. Electron microprobe analyses showed, in addition to major constituents (Si, Ca and Al), minor concentrations (in apfu) of Na (≤0.24), Fe (≤0.10), Mn (≤0.10) and F (≤0.36). The type 1 hydrothermal miarolitic bavenite–bohseite is mostly Al-rich (2.00–0.67 apfu) relative to type 2 proximal bavenite–bohseite and bohseite after beryl, phenakite and helvine–danalite (1.56–0.46, 0.70–0.05, 1.02–0.35 apfu, respectively); and type 3 distal bavenite–bohseite typically after beryl (1.63–0.09 apfu). Raman spectroscopy revealed that the distance between the OH– vibrational modes decreases with increasing bohseite component. The Al content of secondary type 2 proximal bavenite–bohseite is controlled by the composition of the Be precursor whereas type 3 distal bavenite–bohseite with beryl as the Be precursor is more variable and the composition is governed mainly by the composition of fluids. Calcium, a crucial component for bavenite–bohseite origins, was derived from residual pegmatite fluids (Vlastějovice, Vepice IV or Třebíč Plutons) or external sources (e.g. Drahonín IV, Věžná I or Maršíkov). Primary type 1 hydrothermal bavenite–bohseite from miarolitic pockets might have crystallised at T ≈ 300–400°C and P ≈ 200 MPa, whereas the secondary type 2 and 3 bavenite–bohseite formed at T ≈ 300–100°C and P ≈ 200–20 MPa.

Two new mineral species of the crichtonite group: botuobinskite, ideally SrFe2+(Ti4+12Cr3+6)Mg2[O36(OH)2] and mirnyite, ideally SrZr(Ti4+12Cr3+6)Mg2O38, occur as inclusions in mantle-derived Cr-pyrope xenocrysts from the Internatsionalnaya kimberlite pipe, Mirny field, Siberian craton. Botuobinskite forms needle- and blade-like acicular crystals up to 1 mm in length and up to 30 μm in diameter, a large platy inclusion (700 × 700 × 80 μm) and roughly isometric grains (up to 80 μm). Mirnyite occurs as needle-and blade-like elongated inclusions (up to 1 mm). Both minerals are jet-black, opaque and exhibit a metallic lustre. In plane-polarised reflected light, botuobinskite and mirnyite are greyish-white with a weak brownish tint. Between crossed polars, the new species show distinct anisotropy in shades of bluish grey to greenish-brown. Neither bireflectance nor pleochroism is observed. Calculated densities for botuobinskite and mirnyite are 4.3582(5) and 4.3867(3) gm/cm3, respectively. The crystal structures of botuobinskite and mirnyite have been refined (R = 0.0316 and 0.0285, respectively) from single crystal X-ray diffraction data. The minerals are trigonal, crystallise in the space group R$\bar{3}$ (No. 148) and are isostructural with other members of the crichtonite group. The unit cell parameters are a = 10.3644(8) Å, c = 20.6588(11) Å and V = 1921.9(2) Å3 for botuobinskite and a = 10.3734(8) Å, c = 20.6910 (12) Å and V = 1928.2(2) Å3 for mirnyite, with Z = 3 for both. The Raman spectra of the minerals show strong peaks at 133, 313 and 711 cm–1. Infrared spectroscopy data for botuobinskite indicates H–O stretching of the hydroxyl groups. Botuobinskite and mirnyite have been approved by the IMA–CNMNC under the numbers 2018-143a and 2018-144a, respectively. Botuobinskite and mirnyite are named after the Botuobinskaya exploration expedition and Mirny town, respectively. The minerals may be considered as crystal-chemical analogues of other crichtonite-group species occurring in the lithospheric mantle (i.e. loveringite, lindsleyite and mathiasite). Both species commonly occur in intimate association with Cr-pyrope as well as other peridotitic minerals and exert an important control on the partitioning of incompatible elements during mantle metasomatism.

Gismondine-Sr, recently discovered in the Hatrurim Complex in Israel, has been recognised in a xenolith sample from the Bellerberg volcano in Germany. The empirical crystal-chemical formula indicates elevated K content: (Sr1.74Ca1.05Ba0.09K1.56Na0.49)Σ4.93[Al7.98Si8.06O32]⋅9.62H2O. Additionally, Ba-rich gismondine and amicite have been found in the low-temperature mineral association of the pyrometamorphic rock from the Hatrurim Complex. The Raman spectra of the studied zeolites and the crystal structure of gismondine-Sr from the second occurrence are presented. A review of zeolites with GIS framework-type structure leads to the following conclusions: (1) garronite-Na and gobbinsite are equivalent and constitute a solid solution with garronite-Ca; (2) gismondine-Ca, -Sr, and amicite belong to one mineral series; (3) two zeolites series with different R-factors (defined as Si/(Si+Al+Fe)) can be distinguished within GIS topology: the garronite series (R > 0.6) including garronite-Ca and gobbinsite, with general formula (MyD0.5(x–y))[AlxSi(16–x)O32]⋅nH2O, where M and D refer to monovalent and divalent cations, respectively; and the gismondine series, including amicite, gismondine-Sr and gismondine-Ca, with R ≈ 0.5, and the general formula (MyD0.5(8–y))[Al8Si8O32]⋅nH2O. The Raman band between 475 cm–1 and 485 cm–1 is distinctive for the garronite series, whereas the band around 460 cm–1 is characteristic of the gismondine series. On the basis of these findings, a revision of GIS zeolites nomenclature is suggested.

Bystrite is redefined as a four-layer cancrinite-group mineral with the four-layer Losod-type framework and the end-member formula Na7Ca(Al6Si6O24)S52–Cl–. The mineral is known only at the Malo–Bystrinskoe gem lazurite deposit, Baikal Lake area, Siberia, Russia. The associated minerals are calcite, lazurite, sodalite, fluorapatite, phlogopite, diopside, dolomite and plagioclase. Bystrite is brittle, with the Mohs hardness of 5 and distinct cleavage on {10$\bar{1}$0}. The yellow colour of bystrite is due to the presence of S52– anions occurring in Losod (LOS) cages of the aluminosilicate framework with the ABAC stacking sequence. Measured and calculated density is, respectively, 2.43(1) and 2.412 g cm–3 for the holotype and 2.42(1) and 2.428 g cm–3 for the cotype sample. Bystrite is uniaxial (+), ɛ = 1.660(2) and ω = 1.584(2). The mineral was characterised by infrared and Raman spectra. The empirical formulae of the holotype and cotype samples are Na6.97K0.04Ca0.98(Si6.03Al5.97O24)(S52–)0.93[(SO42–)0.15Cl0.83] and Na6.75K0.04Ca1.11(Si6.09Al5.91O24)(S52–)1.04[(HS–)0.17Cl0.85], respectively. Bystrite is trigonal, space group P31c. The unit-cell parameters are: a = 12.8527(6) Å, c = 10.6907(5) Å, V = 1529.4(1) Å3 and Z = 2. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 4.821 (32) (102), 3.915 (38) (211), 3.712 (100) (300), 3.307 (50) (212), 2.782 (18) (400), 2.692 (22) (401), 2.673 (30) (004) and 2.468 (23) (402). Isomorphism and genesis of bystrite-type minerals is discussed. Bystrite and its K,HS-analogue sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)S52–(HS)–, are indicators of highly reducing conditions.

The new mineral alumolukrahnite (IMA2022–059), CaCu2+Al(AsO4)2(OH)(H2O), was found at the Jote mine, Copiapó Province, Chile, where it is a secondary alteration phase associated with conichalcite, coronadite, gypsum, olivenite, pharmacosiderite, rruffite and scorodite. Alumolukrahnite occurs as crude diamond-shaped tablets up to ~0.1 mm, intergrown in crude spherical aggregates. Crystals are apple green and transparent to translucent, with vitreous lustre and a white streak. The Mohs hardness is 3½. The mineral is brittle with irregular fracture and no cleavage. The calculated density is 4.094 g cm–3. Optically, alumolukrahnite is biaxial (+) with α = 1.73(1), β = 1.74(1) and γ = 1.76(1) (white light). The empirical formula, determined from electron microprobe analyses, is Ca1.01(Cu0.92Zn0.13)Σ1.05(Al0.96Fe0.01)Σ0.97(As0.985O4)2(OH)0.88(H2O)1.12. Alumolukrahnite is triclinic, P$\bar{1}$, a = 5.343(5), b = 5.501(5), c = 7.329(5) Å, α = 67.72(2), β = 69.06(2), γ = 69.42(2)°, V = 180.3(3) Å3 and Z = 1. Alumolukrahnite is a member of the tsumcorite group and is the Al analogue of lukrahnite.

The chemical composition (including B, Be and Li), the Raman spectrum and the crystal-structure evolution (at the temperature range 27–1000°C) of a Mn-bearing, Bi-rich gadolinite-subgroup mineral from the Jaguaraçu Pegmatite, Brazil (type-locality of minasgeraisite-(Y)) was studied. Elemental mapping revealed that the crystal investigated has complex chemical zonation with various Bi (~8–24 wt.% Bi2O3), Ca (~8–10 wt.% CaO) and Y (~11–17 wt.% Y2O3) content. The sample investigated has all the specific features of the chemical composition of minasgeraisite-(Y), except Ca excess and, thus, should be considered as hingganite-(Y). The Raman spectrum of the sample under study has bands at 140, 179, 243, 350, 446, 519, 559, 625, 902, 973, 3224, 3353, 3532 and 3763 cm–1, and is similar to that of hingganite-(Y) / -(Nd). Crystal-structure refinement confirmed that the crystal in question should be considered as hingganite-(Y) and is in line with the previously obtained data on gadolinite-subgroup minerals from the Jaguaraçu Pegmatite. High-temperature single-crystal X-ray diffraction studies revealed that the mineral starts to decompose above 800°C. We can conclude that beryllosilicates are most stable at high-temperature conditions within the gadolinite supergroup and that species with a higher M-site occupancy have higher stability upon heating.

The categorisation of minerals and their related names, such as synonyms, obsolete or historical names, varieties or mixtures, is an asset for designing an interoperable and consistent mineralogical data warehouse. An enormous amount of this data, provided by mindat.org and other resources, was reviewed and analysed during the research. The analysis indicates the existence of several categories of (1) the abstract titles or designations representing the link to the original material or a group of names or substances without actual physical representation, and (2) the unique names representing actual physical material, compounds, or an aggregate of one or more minerals. A revision of the dependency between the categories attributes stored in a database (e.g. chemical properties, physical properties) and their classification status assigned allowed us to design a robust prototype for maintaining database integrity and consistency. The proposed scheme allows standardisation and structuring of officially regulated and maintained species, e.g. IMA-approved, and, in addition, unregulated ones.

The criteria for the definition of a new mineral species currently used by the Commission on New Minerals Nomenclature and Classification (CNMNC) of the International Mineralogical Association are critically examined. In particular, the rule of the dominant constituent can violate the laws of conservation of electric charge. A series of additional rules: (1) valency-imposed double site-occupancy; (2) the dominant-valency rule; and (3) the site-total-charge approach, have been developed in an attempt to correct this error. However, none of these rules can overcome the fundamental flaw introduced by the rule of the dominant constituent, and the chemical formulae resulting from application of these rules can violate the requirements of an end-member, particularly that of electroneutrality. As a result, the IMA–CNMNC rules cannot derive end-member formulae for some groups of minerals, giving rise to many ad hoc decisions in defining distinct mineral species.

In this communication we present a brief response to Hawthorne (2023) who, in a paper in volume 87, doi.org/10.1180/mgm.2023.8 (this journal), claims evidence for violations of the electroneutrality principle in mineral formulae derived through IMA–CNMNC procedures: i.e. the dominant-constituent rule, the valency-imposed double site-occupancy, the dominant-valency rule, and the site-total-charge approach (STC).

His statement is not correct as the STC method is based on the end-member definition; thus, it cannot violate the requirements of an end-member, particularly the laws of conservation of electric charge. The STC was developed to address the shortcomings in the previous IMA–CNMNC procedures.

The real question is: which method to use to define an end-member formula? Currently, there are two approaches: (1) STC, which first identifies the dominant end-member charge arrangement and then leads to the dominant end-member composition; (2) the dominant end-member approach.