(S)-α-Ethyl-2-oxo-1-pyrrolidineacetamide (trade name levetiracetam), a derivative of piracetam, is used clinically as an add-on treatment for partial-onset seizures. In this study, we report the solid-state structure of a new drug co-crystal produced from levetiracetam and 3,5-dinitrosalicylic acid through cooling crystallization. This compound was further characterized by infrared spectroscopy, powder X-ray diffraction, and single-crystal X-ray diffraction. The new co-crystals show a 1:1 stoichiometry and crystallize in the monoclinic system, space group P21, with cell parameters: a = 9.7709(3) Å, b = 6.2202(2) Å, c = 14.7280(4) Å, α = 90°, β = 96.0340(10)°, γ = 90°, V = 890.16(5) Å3, and Z = 2. It is identified that hydrogen bonds are the main interactions between levetiracetam and 3,5-dinitrosalicylic acid, and the contribution of each hydrogen bond in maintaining the stability of the crystal structure was also quantified using Hirshfeld surface analysis.

Letnikovite-(Ce), ideally (Na□)Ca2Ce2[Si7O17(OH)]F4(H2O)4, is a new mineral with no natural or synthetic analogues (IMA2022–132). The mineral occurs at the Darai-Pioz alkaline massif, Tien-Shan mountains, Tajikistan, in a silexite-like peralkaline pegmatite. Letnikovite-(Ce) occurs as isolated prismatic grains up to 0.03 × 0.1 mm in a quartz–pectolite aggregate. Associated minerals are quartz, fluorite, pectolite, baratovite, aegirine, leucosphenite, neptunite, reedmergnerite, orlovite, sokolovaite, mendeleevite-(Ce), odigitriaite, pekovite, zeravshanite, kirchhoffite and garmite. The mineral is colourless with a vitreous lustre and a white streak, and Dcalc. is 2.847 g/cm3. Letnikovite-(Ce) is monoclinic, C2/m, a = 7.4726(3), b = 22.9196(9), c = 13.9360(6) Å, β = 105.550(5)° and V = 2299.43(17) Å3. The chemical composition of letnikovite-(Ce) is SiO2 42.38, Gd2O3 0.16, Eu2O3 0.28, Sm2O3 0.07, Nd2O3 5.64, Pr2O3 1.69, Ce2O3 11.73, La2O3 2.24, PbO 1.22, SrO 5.77, FeO 0.32, CaO 11.87, MgO 1.14, Cs2O 0.57, K2O 0.65, Na2O 2.24, H2O 7.79, F 7.29, O = F –3.07, total 99.98 wt.%. The empirical formula calculated on 7 Si apfu is Na0.72K0.14Cs0.04Ca2.10Sr0.55Mg0.28Pb0.05Fe0.04(Ce0.71Nd0.33La0.14Pr0.10Eu0.02Gd0.01)Σ1.31Si7O21.84F3.81H8.58 for Z = 4. The structural formula is (Na0.72Ca0.16□1.12)Σ2(Cs0.04□0.96)Σ1(Ca1.83□0.17)Σ2(Mg0.28Fe0.04□0.68)Σ1(Ln3+1.31Sr0.55Ca0.09Pb0.05)Σ2[Si7O17(OH)]F3.81(H2O)3.79, where Ln3+1.31 = (Ce0.71Nd0.33La0.14Pr0.10Eu0.02Gd0.01)Σ1.31. The simplified formula is (Na,□)2Ca2(Ln3+,Sr)2[Si7O17(OH)]F4(H2O)4, where Ce is the dominant lanthanoid. The crystal structure was solved by direct methods and refined to an R1 index of 4.2%. In letnikovite-(Ce), the main structural unit is a layer which consists of the central heteropolyhedral Ca–Ce sheet and two adjacent single [Si7O17(OH)] sheets parallel to (001). In the Si–O–OH sheet, the Si tetrahedra form five-membered and ten-membered rings. This is the first occurrence of a single [Si7O17(OH)]7– sheet in a mineral. The layers connect via Na and Cs at the interstitial A(1,2) sites, H2O groups and hydrogen bonding. The mineral is named in honour of Felix Artem'evich Letnikov (born October 3rd,1934) in recognition of his outstanding contributions to the field of petrology and geochemistry of Precambrian rocks.

The lattice parameters and the crystal and magnetic structures of Fe2SiO4 have been determined from 10 K to 1453 K by high-resolution time-of-flight neutron powder diffraction. Fe2SiO4 undergoes two antiferromagnetic phase transformations on cooling from room temperature: the first, at 65.4 K, is to a collinear antiferromagnet with moments on two symmetry-independent Fe ions; the second transition, at ~23 K, is to a structure in which the moments on one of the sets of Fe ions (those on the ‘M1 site’) become canted. The magnetic unit cell is identical to the crystallographic (chemical) unit cell and the space group remains Pbnm throughout. The magnetic structures have been refined and the results found to be in good agreement with previous studies; however, we have determined the spontaneous magnetostrictive strains, which have not been reported previously. In the paramagnetic phase of Fe2SiO4, at temperatures of 70 K and above, we find that the temperature dependence of the linear thermal expansion coefficient of the b axis takes an unusual form. In contrast to the behaviour of the expansion coefficients of the unit-cell volume and of the a and c axes, which show the expected reduction in magnitude below ~300 K, that of the b axis remains almost constant between ~70 K and 1000 K.

The crystal structure of danofloxacin mesylate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Danofloxacin mesylate crystallizes in space group P1 (#1) with a = 6.77474(8), b = 12.4973(4), c = 12.82826(28) Å, α = 84.8709(29), β = 87.7501(10), γ = 74.9916(4)°, V = 1044.723(11) Å3, and Z = 2. The protonation of the danofloxacin cations was established by the analysis of potential intermolecular interactions and differs from that expected from isolated-cation calculations. The crystal structure consists of alternating layers of cations and anions parallel to the ac-plane. There is parallel stacking of the oxoquinoline rings along the a-axis. The expected N–H⋯O hydrogen bonds between the cations and anions are not present. Each cation makes an N–H⋯O hydrogen bond with the other cation, resulting in zig-zag chains along the a-axis. Both cations have strong intramolecular O–H⋯O hydrogen bonds. There are several C–H⋯O hydrogen bonds between the danofloxacin cations and mesylate anions. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

Mangani-eckermannite, ideally NaNa2(Mg4Mn3+)Si8O22(OH)2, is a new member of the amphibole supergroup found at Tanohata Mine, Shimohei District, Iwate Prefecture, Japan. It occurs as prismatic crystals up to 0.3 × 0.2 mm and their aggregates up to 1 mm intergrown with braunite, vittinkiite and quartz. Mangani-eckermannite is cherry-red to very dark red and reddish-brown in thicker grains. It is translucent with a pinkish white streak and vitreous lustre. It is brittle, fracture is stepped along crystal elongation and uneven across a crystal. Cleavage is perfect on {110}. Mohs hardness is 6. Dmeas = 3.16(2) and Dcalc = 3.186 g/cm3. The mineral is optically biaxial (–), with α = 1.645(3), β = 1.668(2), γ = 1.675(3) (589 nm); 2Vmeas = 60(10)°, 2Vcalc = 57°. The empirical formula derived from electron microprobe analysis, secondary-ion mass spectrometry and single-crystal structure refinement and calculated on the basis of 24 (O+OH) atoms per formula unit (apfu) is A(Na0.74K0.24□0.02)Σ1.00 B(Na1.52Ca0.24Mn2+0.24)Σ2.00 C(Mg2.54Mn2+1.45Mn3+0.71Fe3+0.26Ti0.04)Σ5.00 T(Si7.97Al0.03)Σ8.00O22W[(OH)1.52O0.48]Σ2.00. Mangani-eckermannite is monoclinic, space group C2/m, a = 9.9533(4), b = 18.1440(7), c = 5.2970(2) Å, β = 103.948(4)°, V = 928.39(6) Å3 and Z = 2. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %)(hkl)] are: 8.52(100)(110); 4.54(25)(040); 3.41(29)(131); 3.16(23)(310,201); 2.721(37)(151); 2.533(26)($\bar{2}$02). The crystal structure was refined to R1 = 0.0264 for 1001 independent reflections with I > 2σ(I). The place of mangani-eckermannite in the nomenclature of the amphibole supergroup is discussed and the status of mangano-ferri-eckermannite as a valid mineral species and successor of ‘kôzulite’ is questioned.

Oxy-dravite, ideally Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3(O), was found in a composition near its ideal end-member at the Beluga occurrence, Nunavut territory, Canada. It occurs in retrograde albite–muscovite–corundum–calcite domains in a calc-silicate rock. This uncommon oxy-dravite occurs as dark brown, equant to short-prismatic, idiomorphic crystals with vitreous lustre and up to ca. 4 × 3 cm in size. The oxy-dravite is optically uniaxial (–), with ω = 1.6453(5) and ɛ = 1.6074(18); its calculated density is 3.069 g.cm–3 with a compatibility index of 0.016. The Beluga oxy-dravite has trigonal symmetry, space group R3m with a = 15.9121(2) Å, c = 7.1788(10) Å, V = 1574.12(5) Å3 and Z = 3. The crystal structure was refined to R1 = 1.45 using 1613 unique reflections. The empirical crystal-chemical formula is X(Na0.88Ca0.08□0.03K0.01)Y(Al1.49Mg1.31Fe0.15Ti0.04Zn0.01)Z(Al5.42Mg0.58)T(Si5.84Al0.16O18)B(BO3)3V(OH2.95O0.05)W(O0.84OH0.01F0.15).

Oxy-dravite in nature commonly occurs in a solid solution with foitite, schorl and oxy-schorl. At the Beluga occurrence, its minor contents of Al, vacancy [□], and Ca are most likely compensated by (□Al)(NaR2+)–1 and (CaMg)(NaAl)–1 exchanges of the oxy-magnesio-foitite and magnesio-lucchesiite components. The Beluga occurrence of oxy-dravite is characterised by an Mg-rich environment related to a metamorphic overprint of the original sedimentary sequence. This sequence of marine dolomitic argillaceous marl was influenced by (B,Cl)-rich fluids, probably proximally-derived from mineral breakdown reactions in the calc-silicate during the retrograde stage of metamorphism. The locality is a rare example of a tourmaline + corundum assemblage.

A new member of the epidote supergroup, ferriandrosite-(Ce), ideally MnCeFe3+AlMn2+(Si2O7)(SiO4)O(OH), was found at the Július manganese ore occurrence near Betliar, Rožňava Co., Košice Region, Slovakia. It occurs as subhedral grains and polycrystalline aggregates, up to 0.3 mm in size, enclosed in pyroxmangite. Other associated minerals are spessartine, rhodochrosite, quartz, baryte and pyrosmalite-(Mn). Ferriandrosite-(Ce) is dark brown, with a light brown streak and vitreous lustre. The Mohs hardness is ~6½ to 7 and tenacity is brittle with no observable cleavage or fracture. The calculated density is 4.321 g⋅cm–3. Ferriandrosite-(Ce) is optically biaxial (+), with weak pleochroism, high surface relief and the mean calculated refractive index is 1.832. The empirical structural formula of ferriandrosite-(Ce), based on 13 anions per formula unit, is A1(Mn2+0.63Ca0.35Ce0.02)Σ1.00A2(Ce0.53La0.27Nd0.14Pr0.05REE*0.01)Σ1.00M1(Fe3+0.41Al0.12V3+0.01Mg0.40Ti0.05)Σ0.99M2Al1.00M3(Mn2+0.75Fe2+0.22Mg0.03)Σ1.00T1–3Si3.00O11O4(O0.67F0.33)(OH), where REE* are minor rare earth elements. Ferriandrosite-(Ce) is monoclinic, space group P21/m, a = 8.8483(4) Å, b = 5.7307(3) Å c = 10.0314(5) Å, β = 113.3659(15)°, V = 466.95(4) Å3 and Z = 2. The crystal structure of ferriandrosite-(Ce) was refined to a final R1 = 0.0210 for 1910 reflections with Fo > 4σ(Fo) and 127 refined parameters. Structural features of ferriandrosite-(Ce) are discussed and compared with other members of the androsite-series.

The new mineral mazorite, ideally Ba3(PO4)2, a P-analogue of gurimite Ba3(VO4)2, was discovered in rankinite paralava hosted by the massive gehlenite-bearing pyrometamorphic rocks of the Hatrurim Complex in Israel. It has also recently been discovered in xenolith samples from the Bellerberg volcano in Germany. Holotype mazorite usually forms colourless plate-like crystals up to 70–100 μm in length but also occurs in small aggregates in association with other rare Ba-bearing minerals such as zadovite, celsian, hexacelsian, bennesherite, sanbornite, walstromite, fresnoite, gurimite, alforsite and barioferrite. The mineral is transparent, exhibits vitreous lustre and has a good cleavage on (001). Optically, mazorite is uniaxial (+), with ω = 1.760(3) and ɛ = 1.766(3) (λ = 589 nm). The empirical formula of the holotype mazorite calculated on 8O is (Ba2.69K0.22Na0.04Ca0.02Sr0.01)Σ2.98(P1.16V0.57S0.24Al0.04Si0.03)Σ2.04O8. Mazorite crystallises in space group R$\bar{3}$m, with unit-cell parameters a = 5.6617(5) Å, c = 21.1696(17) Å, V = 587.68(9) Å3 and Z = 3. Its crystal structure consists of BaO12, BaO10, and PO4 polyhedra, ordered along the c-axis in PO4–BaO10–BaO12–BaO10–PO4 columnar arrangement characteristic for palmierite-supergroup minerals. A tetrahedrally coordinated site is generally occupied by P5+ but can be partially substituted by V5+ and S6+. This substitution is shown in the Raman spectrum of mazorite, which reveals bands that can be assigned to the stretching and bending vibrations of (PO4)3–, (VO4)3– and (SO4)2– groups. The Raman spectra of mazorite from two localities (Hatrurim and Bellerberg) and spectra of minerals belonging to the mazorite Ba3(PO4)2 to gurimite Ba3(VO4)2 solid-solution series are presented. The gradual shift of the Raman bands, caused by cation substitutions, is well observed. The high V5+ → P5+ substitution is also observed for gurimite, for which the first X-ray structural data are also presented. Mazorite and other Ba-bearing minerals crystallised from a small portion of residual melt enriched in incompatible elements, such as Ba, V, P, U, S, Ti and Nb, at a temperature of ~1000°C.

Fluoralforsite, ideally Ba5(PO4)3F, (space group P63/m (#176), Z = 2, a = 10.0031(2) Å, c= 7.5382(2) Å and V = 653.23(3) Å3), is a new mineral species of the apatite group – a Ba-analogue of fluorapatite and a F-analogue of alforsite. It was discovered in rankinite paralava filling cracks in pyrometamorphic gehlenite hornfels near the tributary of wadi Zohar and Gurim Anticline, Hatrurim Basin, Negev Desert, Israel. Fluoralforsite occurs in small intergranular spaces between large gehlenite and garnet crystals and in enclaves inside large rankinite crystals with other Ba minerals such as walstromite, zadovite, bennesherite, gurimite, mazorite, barioferrite and baryte. It forms tiny transparent, colourless crystals up to 50 μm with a white streak and a vitreous lustre. The cleavage was not observed. It exhibits a brittle tenacity and a conchoidal fracture. The estimated Mohs hardness is 4–4½, and its calculated density is 4.57 g/cm–3. Fluoralforsite is uniaxial (–) with refractive indices (589 nm) nω = 1.689(3) and nɛ = 1.687(3). The empirical crystal-chemical formula for the holotype calculated on the basis of 8 cations is: (Ba3.81Ca0.97Na0.07K0.05Sr0.05Fe0.05)Σ5(P5+2.32V5+0.29S6+0.22Si0.17)Σ3O12(F0.85Cl0.13)Σ0.98. The crystal structure was refined from single-crystal X-ray diffraction data with R1 = 0.0192. The structural investigation indicated an ordered arrangement of Ba/Ca at the M1 site within individual columns running along the c-axis, but a disordered distribution among adjacent columns throughout the structure, which enables the maintenance of the P63/m space group. Fluoralforsite was formed at the final stage of crystallisation as a result of a reaction between the primary mineral assemblages and residual melt.

Rewitzerite, K(H2O)Mn2(Al2Ti)(PO4)4[O(OH)](H2O)10⋅4H2O, is a new monoclinic member of the paulkerrite group, from the Hagendorf-Süd pegmatite, Oberpfalz, Bavaria, Germany. It was found in specimens of altered zwieselite, in association with rockbridgeite. Rewitzerite forms clusters of colourless elongated hexagonal-shaped prisms, up to 0.1 mm long. The crystals are flattened on {010} and elongated along [100], with forms {010}, {001}, {111} and {$\bar{1}$11}. The calculated density is 2.33 g⋅cm–3. Optically, rewitzerite crystals are biaxial (+), with α = 1.585(2), β = 1.586(2), γ = 1.615(2) (measured in white light) and 2V(meas) = 25(2)°. The empirical formula from electron microprobe analyses and structure refinement is A1[K0.77(H2O)0.23]A2[H2O] M1(Mn2+0.82Mg0.64Fe3+0.43□0.11)Σ2.00 M2+M3(Al1.51Ti4+1.06Fe3+0.43)Σ3.00(PO4)4 X[(OH)0.54F0.42O1.04]Σ2.00(H2O)10⋅4H2O, where □ = vacancy.

Rewitzerite has monoclinic symmetry with space group P21/c and unit-cell parameters a = 10.444(2) Å, b = 20.445(2) Å, c = 12.2690(10)Å, β = 90.17(3)°, V = 2619.8(6) Å3 and Z = 4. The crystal structure was refined using synchrotron single-crystal data to wRobs = 0.068 for 5894 reflections with I > 3σ(I). The crystal structure has the same topology as that for orthorhombic paulkerrite-group minerals but differs primarily in having an ordering of K+ and H2O molecules in different A sites, whereas they are disordered at a single A site in the orthorhombic members of the group.

X-ray powder diffraction data, unit-cell parameters, and space group for the barium copper iodate, Ba2Cu(IO3)6, are reported [a = 7.48540(15) Å, b = 7.51753(19) Å, c = 7.64259(17) Å, α = 98.8823(7)°, β = 95.0749(7)°, γ = 97.6297(7)°, V = 418.528(9) Å3, Z = 1, and space group P$\bar{1}$]. All measured lines are indexed and are consistent with the corresponding space group. The single-crystal diffraction data of Ba2Cu(IO3)6 are also reported [a = 7.493(3) Å, b = 7.521(6) Å, c = 7.644(5) Å, α = 98.855(18)°, β = 95.060(16)°, γ = 97.62(2)°, V = 419.3(5) Å3, Z = 1, and space group P$\bar{1}$]. The crystal structure of Ba2Cu(IO3)6 features isolated [Cu(IO3)6]4− anionic clusters separated by Ba2+ cations. The experimental powder diffraction pattern matches well with the simulated pattern derived from the single crystal data.

A new occurrence of austinite, CaZnAsO4(OH), conichalcite, CaCuAsO4(OH), and zincolivenite, CuZnAsO4(OH), is described from the Tripi mine, Peloritani Mountains, Sicily, Italy. These species have been observed in euhedral crystals in vugs of a calcite vein and were characterised using single-crystal X-ray diffraction, electron microprobe analysis and micro-Raman spectroscopy. Austinite and conichalcite have isotypic relations, both crystallising in space group P212121. Unit-cell parameters of austinite are a = 7.4931(5), b = 9.0256(6), c = 5.9155(4) Å, V = 400.06(5) Å3; its crystal structure was refined on the basis of 1210 unique reflections with Fo > 4σ(Fo) and 77 least-square parameters to R1 = 0.0236. Conichalcite has unit-cell parameters a = 7.419(10), b = 9.111(11), c = 5.867(7) Å and V = 396.6(1.4) Å3; the diffraction quality of its available grains was not good enough to allow a high-quality structural refinement. Chemical formulae of austinite and conichalcite are Ca1.04(1)Zn0.86(4)Cu0.09(4)As0.98(2)P0.02(1)O4(OH)0.98 and Ca0.98(1)Fe2+0.02(4)Cu0.69(10)Zn0.30(6)As0.97(2)P0.03(1)O4(OH)0.98, respectively. The new chemical data on the austinite–conichalcite isotypic pair, coupled with previous analyses, supports a possible miscibility gap between the compositions (Zn0.25Cu0.75) and (Zn0.50Cu0.50). Zincolivenite has unit-cell parameters a = 8.4594(9), b = 8.5324(8), c = 5.9893(6) Å, V = 432.30(12) Å3 and space group Pnnm; its crystal structure was refined to R1 = 0.0230 for 523 unique reflections with Fo > 4σ(Fo) and 47 least-square parameters. Its chemical composition is Cu0.73(5)Zn1.25(5)As1.01(1)O4(OH)1.01. The refinement of the crystal structure supports the ordering of Cu and Zn in two different crystallographic sites. Micro-Raman spectra of austinite, conichalcite and zincolivenite are discussed, with a focus on the O–H stretching region where local Zn and Cu arrangements affect the position of Raman bands in zincolivenite. These arsenates probably play an environmental role in the Peloritani area, where the occurrence of high contents of some potentially toxic elements in soils and stream sediments has been reported.

The new mineral evseevite was found in the Arsenatnaya fumarole, Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. Evseevite is represented by two chemical varieties. The variety close to the end-member Na2Mg(AsO4)F (holotype) is associated with sanidine, hematite, tenorite, aegirine, cassiterite, sylvite, halite, johillerite, badalovite, calciojohillerite, hatertite, arsmirandite, yurmarinite, axelite, polyarsite, aphthitalite, potassic-magnesio-fluoro-arfvedsonite, litidionite, ferrisanidine and tridymite. The P- and S-enriched variety (cotype) is associated with hematite, fluorophlogopite, svabite, fluorapatite, tilasite, calciojohillerite, forsterite, cassiterite, belomarinaite and aphthitalite. Evseevite occurs as prismatic, acicular or hair-like crystals up to 0.7 mm long combined in clusters up to 0.5 mm, brushes or crusts up to 2 × 2 mm. It is transparent, colourless or pale pinkish, with vitreous lustre. Dcalc is 3.377 g cm–3 for the holotype and 3.226 g cm–3 for the cotype. Evseevite is optically uniaxial (+), α = 1.545(2), β = 1.546(2), γ = 1.549(2) and 2Vmeas = 40(10)°. The empirical formulae calculated based on O+F = 5 apfu are (Na1.99Ca0.03K0.01)Σ2.03(Mg0.98Fe3+0.01Zn0.01Cu0.01)Σ1.01[(As0.98Si0.01)Σ1.01O4](F0.97O0.03) for the holotype and Na2.02(Mg1.00Fe3+0.03)Σ1.03[(As0.69P0.25S0.07)Σ1.01O4](F0.78O0.22) for the cotype. Evseevite is orthorhombic, Pbcn, a = 5.3224(1), b = 14.1255(3), c = 12.0047(3) Å, V = 902.53(4) Å3 and Z = 8. Strong reflections of the powder XRD pattern [d,Å(I)(hkl)] are: 4.001(100)(121), 3.479(56)(023), 3.041(45)(042), 2.657(44)(200), 2.642(68)(142) and 2.613(36)(104). The crystal structure was solved from single-crystal XRD data and refined on powder data by the Rietveld method, Rwp = 0.0068, Rp = 0.0047 and Robs = 0.0435. Evseevite is isostructural to moraskoite Na2Mg(PO4)F. The structure of evseevite can be described in terms of anion-centred polyhedra. F-centred octahedra [FNa4Mg2]7+ share faces to form chains [FNa2Mg]3+ and AsO4 tetrahedra are located between the chains. Evseevite belongs to a small set of minerals with antiperovskite structures and is the first natural arsenate with antiperovskite units. The mineral is named in honour of the Russian mineralogist Aleksandr Andreevich Evseev (born 1949).

Napoliite, ideally Pb2OFCl, is a new fluoroxychloride mineral found in a specimen from a fumarole formed subsequent to the 1944 eruption of Vesuvius volcano, Naples Province, Italy. It occurs as well-shaped lamellar crystals up to 0.25 × 0.25 × 0.01 mm typically forming clusters up to 0.4 × 0.4 mm on the surface of volcanic scoria in association with anglesite, artroeite, atacamite, calcioaravaipaite, cerussite, challacolloite, cotunnite, hephaistosite, manuelarossiite, matlockite and susannite. Napoliite is colourless with white streak and adamantine lustre. It is brittle and has a laminated fracture. Cleavage is perfect on {001}. Dcalc = 7.797 g cm–3. The calculated mean refractive index is 2.10. Chemical composition (wt.%, electron microprobe) is: PbO 91.71, F 3.89, Cl 7.34, –O=(F+Cl) –3.30, total 99.64. The empirical formula calculated on the basis of 3 anions is Pb1.999O0.997F0.996Cl1.007. Raman spectroscopy confirms the absence of OH– groups and H2O molecules in the mineral. Napoliite is tetragonal, space group P42/mcm, a = 5.7418(11), c = 12.524(4) Å, V = 412.9(2) Å3 and Z = 4. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 3.860 (85) (111); 3.139 (20) (004); 2.914 (100) (113); 2.866 (63) (200); 2.118 (19) (204); 2.027 (19) (220); 1.665 (20) (313); and 1.642 (23) (117). The crystal structure was refined to R1 = 0.024 for 222 reflections with F > 4σ(F). It is based on lead oxide blocks derived from that of litharge PbO, which alternate with layers of chloride ions. Napoliite represents a new structure type with a unique order/disorder pattern of fluorine and oxygen atoms. The new mineral is dimorphous with rumseyite. It is named after the city of Naples (Napoli in Italian).

Fluorbritholite-(Nd), ideally Ca2Nd3(SiO4)3F, has been approved by the International Mineralogical Association (IMA2023–001) and constitutes a new member of the britholite group of the apatite supergroup. It occurs in skarn from the Malmkärra iron mine, Norberg, Västmanland (one of the Bastnäs-type deposits in Sweden), associated with calcite, dolomite, magnetite, lizardite, talc, fluorite, baryte, scheelite, gadolinite-(Nd) and other REE minerals. Fluorbritholite-(Nd) forms anhedral and small grains, rarely up to 250 μm across. They are brownish pink and transparent with a vitreous to greasy lustre. The mineral is brittle, with an uneven or subconchoidal fracture and lacks a cleavage. In thin section, the mineral is nonpleochroic, uniaxial (–). Dcalc = 4.92(1) g⋅cm−3 and ncalc = 1.795. The empirical chemical formula from electron microprobe (WDS) point analyses is (Ca1.62Nd0.97Ce0.83Y0.52Sm0.30Gd0.23Pr0.17La0.16Dy0.11Er0.03Tb0.03Ho0.01Yb0.01)Σ4.99(Si2.92P0.08As0.01)Σ3.01O12.00[O0.48F0.26(OH)0.14Cl0.10Br0.02]Σ1.00. The crystal structure of fluorbritholite-(Nd) was refined from single-crystal X-ray diffraction data to R1= 0.043 for 704 unique reflections. It belongs to the hexagonal system, space group P63/m, with unit cell parameters a = 9.5994(3), c = 6.9892(4) Å and V = 557.76(5) Å3 for Z = 2. Fluorbritholite-(Nd) and other britholite-group minerals are a major sink for neodymium in REE-bearing skarns of Bastnäs type.

The crystal structure of meglumine diatrizoate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Meglumine diatrizoate crystallizes in space group P21 (#4) with a = 10.74697(4), b = 6.49364(2), c = 18.52774(7) Å, β = 90.2263(3), V = 1292.985(5) Å3, and Z = 2. Two different crystal structures, which yielded essentially identical refinement residuals and positions of the non-H atoms, were obtained. The differences were in the H atom positions and the hydrogen bonding. One structure was 123.0 kJ/mol/cell lower in energy than the other and was adopted for the final description. The crystal structure consists of alternating double layers of cations and anions along the c-axis. The hydrogen bonds link the cations and anions into a three-dimensional framework. Each of the hydrogen atoms on the ammonium nitrogen of the cation acts as a donor in a strong N–H⋯O hydrogen bond. One of these is to a hydroxyl group of another cation, and the other is to the carboxylate group of the anion. Each of the amide nitrogen atoms of the anion forms a strong N–H⋯O intermolecular hydrogen bond, one to a carbonyl and the other to a carboxylate group. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

The new mineral tennantite-(Ni), Cu6(Cu4Ni2)As4S13, has been discovered from the Luobusa Chromitite, Tibet, southwestern China. Tennantite-(Ni) occurs as anhedral grains ranging from 2 to 20 μm in size. In reflected light microscopy, tennantite-(Ni) is isotropic and appears yellow-greenish grey. Reflectance data for Commission on Ore Mineralogy wavelengths in air for tennantite-(Ni) are: 31.0 (470 nm), 29.6 (546 nm), 29.6 (589 nm) and 29.3 (650 nm). Electron microprobe analysis for holotype material gave the empirical formula (on basis of total cations = 16 apfu): M(2)Cu6 M(1)[Cu4.00(Ni0.97Cu0.53Fe0.50)Σ2.00]Σ6.00X(3)(As2.94Sb1.06)Σ4S12.77. Tennantite-(Ni) is cubic, with space group I$\bar{ 4}$3m (#217), a =10.2957(9) Å, V = 1091.4(3) Å3 and Z = 2. By using single-crystal X-ray diffraction, the crystal structure has been determined and refined to a final R1 = 0.0423 on the basis of 163 independent reflections [Fo > 4σ (Fo)]. The calculated seven strongest powder X-ray diffraction lines [d in Å (I) (hkl)] are: 2.972 (100) (222), 1.820 (83) (440), 2.574 (28) (400), 1.552 (18) (622), 3.640 (10) (220), 1.880 (10) (521) and 1.287 (7) (800). Tennantite-(Ni) is isostructural with other tetrahedrite-group minerals, and nickel is hosted at the tetrahedrally coordinated M(1) site, along with Cu and minor Fe. The mineral and its name have been approved by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA2021-018).

Vrančiceite is a new mineral species discovered in a sample collected from the old mine dumps of the abandoned Vrančice deposit near Příbram, central Bohemia, Czech Republic. Vrančiceite occurs as rare anhedral grains, up to 100 μm in size, in a calcite gangue, associated with cinnabar, djurleite, galena and hedyphane. Vrančiceite is black, with metallic lustre. Mohs hardness is ca. 2–3, calculated density is 6.652 g.cm–3. In reflected light, vrančiceite is light grey with a yellowish shade; bireflectance, pleochroism and anisotropy are all weak. Internal reflections were not observed. Reflectance values for the four Commission on Ore Mineralogy wavelengths of vrančiceite in air [Rmax, Rmin (%) (λ in nm)] are: 33.6, 31.2 (470); 33.9, 30.6 (546); 31.1, 30.0 (589); and 32.1, 29.1 (650). The empirical formula, based on electron-microprobe analyses, is Cu10.11(4)Ag0.01(1)Hg2.87(4)Sb0.01(1)Bi0.01(1)S7.99(8). The ideal formula is Cu10Hg3S8 (Z = 2), which requires (in wt.%) Cu 42.54, Hg 40.29 and S 17.17, total 100.00. Vrančiceite is triclinic, P$\bar{1}$, with unit-cell parameters a = 7.9681(2), b = 9.7452(3), c = 10.0710(3) Å, α = 77.759(1), β = 76.990(1), γ = 79.422(1)°, V = 737.01(4) Å3 and Z = 2. The strongest reflections of the calculated powder X-ray diffraction pattern [d, Å (I) hkl] are: 3.354 (76) $\bar{2}$01, 3.111 (68) 222, 2.833 (100) 213, 2.733 (93) 231, 2.705 (76) 2$\bar{2}$1 and 2.647 (71) $\bar{2}\bar{1}$2. According to the single-crystal X-ray diffraction data (R1 = 0.0262), the crystal structure of vrančiceite can be described as comprising Cu–S layers, connected through CuS3 polyhedra, giving rise to a three-dimensional framework with channels running along the a axis and hosting linearly coordinated Hg atoms. Structural relations with gortdrumite are discussed. Vrančiceite is named after its type locality, the Vrančice deposit near Příbram. The mineral and its name have been approved by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA2022–114).

Dongchuanite, ideally Pb4VIZnIVZn2(PO4)2(PO4)2(OH)2, is a new phosphate mineral with a new type of structure. It was found at the Dongchuan copper mine, Yunnan Province, People's Republic of China. Dongchuanite generally occurs as spherical aggregates with microscopic lamellar crystals, characterised by a turquoise–greenish blue colour. It is transparent, with a colourless streak and has a vitreous lustre without fluorescence. It is brittle with a Mohs hardness of 2–2½, and has good parallel cleavage to {011}, with insignificant parting and even fracture. According to the empirical formula and cell volume, it has a calculated density of 6.06 g/cm3. It easily dissolves in acid without gas being emitted. The mineral is biaxial (–), calculated n = 1.90 and maximum birefringence: δ = 0.010 and 2V=70°. Dispersion of the optical axes r < v is very weak. The mineral is pale blue to light blue and very weakly pleochroic in transmitted light. Dongchuanite crystallises in the triclinic space group P$\bar{1}$, with unit-cell parameters a = 4.7620(10) Å, b = 8.5070(20) Å, c = 10.3641(19) Å, α = 97.110(17)°, β = 101.465(17)°, γ = 92.273(18)°, V = 407.44(15) Å3 and Z = 1. The eight strongest reflections in the powder X-ray diffraction pattern [dobs, Å (I/I0) (hkl)] are: 3.442 (100) ($\bar{1}$12), 3.035 (50) (120), 4.652 (45) (100), 2.923 (40) ($\bar{1}\bar{1}$3), 2.384 (35) ($\bar{2}$01), 3.130 (30) ($\bar{1}$21), 2.811 (30) (030) and 2.316 (18) (032). The crystal structure (solved and refined from single-crystal X-ray diffraction data, R1 = 0.07) is a new layered structure consisting of corner-sharing tetrahedrons and octahedrons, where [PO4] tetrahedra and [ZnO4] tetrahedra share corners to form a double chain, and the another [PO4] tetrahedra is connected by corner-sharing with a [ZnO4(OH)2] octahedra to form a tetrahedral–octahedral chain, extending along the a-axis direction. The two types of chains are connected by corner-sharing between [ZnO4] and [PO4] tetrahedra forming a wrinkled layer parallel to (011). The Pb atoms occupy two independent sites between the wrinkled layers, both of which have typical lopsided coordination of Pb2+ with stereoactive 6s2 lone-pair electrons.

Calcioancylite-(La), ideally (La,Ca)2(CO3)2(OH,H2O)2, has been discovered from nepheline syenite of the Gejiu alkaline complex in the Honghe Hani and Yi Autonomous Prefecture, Yunnan Province, China. The mineral occurs as aggregates of subhedral grains, and the size of single crystals varies between 5–20 μm. Calcioancylite-(La) is colourless to pale pinkish grey and has transparent to translucent lustre. It is brittle with a Mohs hardness of 4. The calculated density is 4.324 g/cm3. The mineral is biaxial (−), with α =1.662, β = 1.730, γ = 1.771, 2Vmeas. = 70°(1) and 2Vcalc. = 73°. Electron microprobe analysis for holotype material yielded an empirical formula of (La0.58Ce0.55Pr0.14Nd0.10Ca0.39Sr0.20K0.04)Σ2.00(CO3)2[(OH)1.25F0.06⋅0.69H2O]Σ2.00. Calcioancylite-(La) is orthorhombic, with space group Pmcn, a = 5.0253(3) Å, b = 8.5152(6) Å, c = 7.2717(6) Å, V = 311.17(4) Å3 and Z = 2. By using single-crystal X-ray diffraction, the crystal structure has been determined and refined to a final R1 = 0.0652 on the basis of 347 independent reflections (I > 2σ). The seven strongest powder X-ray diffraction lines [d in Å (I) (hkl)] are: 2.334 (100) (013), 2.970 (80) (121), 4.334 (75) (110), 3.678 (68) (111), 2.517 (55) (200), 2.647 (47) (031) and 2.077 (44) (221). Calcioancylite-(La) is the La-analogue of calcioancylite-(Ce) and is a new member of ancylite-group minerals. The mineral and its name have been approved by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA2021-090).