Diffraction Lines Research Articles

Effect of irradiation on grain size and texture in Mo and Ta films

Implantation of heavy ions into metal matrices leads to the creation of a high concentration of radiation defects. X-ray diffraction studies of Mo and Ta foils implanted with 57Fe ions have been carried out. It is shown that the implantation of Fe ions does not significantly affect the lattice parameters. It has been established that irradiation leads to broadening of diffraction lines and a decrease in the size of crystal grains. The Mo and Ta foils with {100} orientation are found to be highly textured. Irradiation with Fe ions has no noticeable effect on the texture. However, subsequent annealing at a temperature of 700°С weakens the texture on the irradiated side for Mo and Ta foils without affecting the texture of the nonirradiated side.

Mechanical Grinding of Hydroxyapatite and Its Interaction with Titanium

The development of promising biocompatible composites based on hydroxyapatite with a metallic component is of great interest to researchers. This article describes the synthesis of hydroxyapatite powder by the hydrolytic method and presents the results of mechanical grinding of hydroxyapatite powder. Additionally, in order to study the interaction between titanium and hydroxyapatite powders, the results of their thermal treatment in the temperature range of 600–900 °C are presented. As a result of the hydrolytic method, a powder consisting of Ca5(PO4)3(OH) and CaO phases with a fraction of 400–600 μm was obtained. According to the results of mechanical grinding, it was determined that with an increase in grinding time from 30 to 120 min, the intensive main diffraction lines corresponding to hydroxyapatite decrease. During the thermal treatment of titanium and hydroxyapatite powders, titanium oxidizes forming suboxides and titanium dioxide (TiO2). At higher temperatures, the hydroxyapatite phase disappears from the mixture, and titanium oxide, calcium phosphate compound, and small amounts of calcium titanate and titanium hydrophosphate are present.

A spatially resolved analysis of dislocation loop and nanohardness evolution in proton irradiated Zircaloys

Proton irradiation is increasingly used as a surrogate for neutron irradiation, providing similar damage structures at significantly lower costs and less time compared to neutron irradiation. However, in contrast to neutrons, protons produce a depth dependent damage profile that incorporates a plateau region and a Bragg peak in the tens of microns region depending on the material and proton energy. Here we demonstrate that this depth dependent damage can be utilised to obtain new understanding about irradiation induced damage at different dose levels from a single sample by combining spatially resolved micro-beam synchrotron X-ray diffraction-based dislocation analysis and nanoindentation. For this purpose, and to study the damage evolution starting from very early stages, we have investigated microstructure evolution and hardening behaviour of Zircaloy-2 and Zircaloy-4 proton irradiated samples between 0.01 dpa and 17 dpa at 350 °C. The results highlight good agreements of SRIM-based damage depth predictions with irradiation-induced dislocation appearance and nanohardness. However, at even relatively low damage levels within the plateau region, dislocation line density and nanohardness profiles appear saturated across the entire irradiated region, even when the dpa levels differed significantly. When relating dislocation loop line densities to nanohardness, it was found that from a certain point hardness increased only very slightly with increasing line densities. This apparent discrepancy can be explained by a decreasing loop size for the highest line densities identified by from the diffraction line profile analysis and the application of a Dispersed Barrier Hardening model that relates obstacle strength to dislocation loop size.

Evidence for phonon hardening in laser-excited gold using x-ray diffraction at a hard x-ray free electron laser

Studies of laser-heated materials on femtosecond timescales have shown that the interatomic potential can be perturbed at sufficiently high laser intensities. For gold, it has been postulated to undergo a strong stiffening leading to an increase of the phonon energies, known as phonon hardening. Despite efforts to investigate this behavior, only measurements at low absorbed energy density have been performed, for which the interpretation of the experimental data remains ambiguous. By using in situ single-shot x-ray diffraction at a hard x-ray free-electron laser, the evolution of diffraction line intensities of laser-excited Au to a higher energy density provides evidence for phonon hardening.

Synthesis, Spectroscopy and Biological Activities of Some Trivalent Lanthanide Complexes of Octadecyl N-salicylaldimine (ONsal)

A series of Ln(III) complexes of octadecyl N-salicylaldimine (ONsal) were synthesized and characterized by CHN analysis, magnetic moment, conductivity, thermoanalytical and spectroscopic methods. Elemental and thermal analysis data confirmed the formation of heptacoordinated [Ln(ONsal)2Cl2(H2O)]Cl complexes where Ln = Ce3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, which is further supported by the respective mass spectra. The ligand acts as a neutral bidentate species coordinating through azomethine nitrogen and phenolic O-atom. The linkage of one H2O molecule in all the complexes has been inferred from the thermal analysis. All the Ln(III) complexes are paramagnetic in nature and act as 2:1 electrolyte in 0.002 M DMF at 25 ºC. The complexes of Sm(III), Eu(III) and Tb(III) display luminescent properties. The powder XRD patterns of Nd(III) and Dy(III) complexes could be successfully indexed for monoclinic crystal systems, while the diffraction lines of Eu(III) complex are indexed for a triclinic crystal system. Methanolic solutions of the ligand and complexes were checked for α-glucosidase and α-amylase inhibitory properties where some of the Ln(III) complexes show significant α-glucosidase inhibitory potency while only Tb(III) complex shows inhibition against α-amylase.

Impact of viscothermal loss on modulation instability and rogue waves in left-handed nonlinear diffractive acoustic transmission line metamaterials

In this study, the transmission line approach is used to describe the studied acoustic metamaterial model. Through Kirchoff’s pressure and volume-velocity laws and using multiple scales method, nonlinear coupled Schrödinger equations are obtained. Then, the amplitude disturbance method is applied to these equations to obtain and plot the modulational instability gain curves. Analytically, the impact of viscothermal loss on the modulational instability gain is studied. The similarity technique is used to derive integrable Manakov’s equations. First and second-order rational rogue wavelike solutions of coupled nonlinear Schrödinger are deduced. The results indicate that the modulational instability gain and Rogue wave intensities depend on the viscothermal parameter. This parameter can be considered in the design of nonlinear acoustic metamaterials to minimize the damage caused by the dynamics of freak waves.

Research on the effect of microelement salt with fertilizer

The visual-polythermal method was used to study the solubility of components in the ZnSO4 – (NH4)2SO4 – H2O system over the temperature interval of -22.0°С to +36.1°С. Solubility and characteristics of the constituents of the system at different temperatures and concentrations were studied to show the physicochemical interactions between zinc sulfate and ammonium sulfate. The phase description delineates the areas of ice crystallization, (NH4)2SO4, ZnSO4ꞏ(NH4)2SO4ꞏ6H2O, and ZnSO4. A solubility diagram was drawn and a new compound, ZnSO4ꞏ(NH4)2SO4ꞏ6H2O, was isolated. The system ZnSO4 – (NH4)2SO4 – H2O was investigated using thirteen inner sections. At the double and triple points of the system, the equipoise composition of solutions and crystallization temperatures were clarified. The analysis was carried out using contemporary physicochemical analysis methods to confirm the identity of the obtained compound. Analytical data on physicochemical changes, thermal stability and chemical decomposition of the ZnSO4ꞏ(NH4)2SO4ꞏ6H2O sample with temperature change were presented. All the diffractographic changes in the X-ray pattern of a new compound, in particular, the set of distances between the planes, the activation of their reflection angles, and the diffraction lines confirm the individuality of the new compound.

Study on Factors Affecting Water Resistance of Titanium Negative Electrode Materials for Na Batteries

【Background】 In recent years, sodium-ion batteries, which use abundant Na ions as charge carries, have been attracting attention as an alternative to lithium-ion batteries. Sodium-ion batteries are expected to be used as large-scale energy storage devices due to moderate energy density, but air storage stability of the layered oxides is an important issue to be considered. In this study, air storage stability of titanium layered oxides with different chemical compositions and structures, P2 Na2/3Cr1/3Mg1/6Ti1/2O2, P2 Na0.67Li0.22Ti0.78O2, P2 Na2/3Cr2/3Ti1/3O2, and P3 Na0.58Cr0.58Ti0.42O2, is systematically examined, from which the factors affecting air storage stability is discussed.【Results and Discussion】 Figure 1 shows the X-ray diffraction patterns of P2 Na2/3Cr1/3Mg1/6Ti1/2O2 (P2 NaCrMgTi) before and after soaking in water for 30 minutes (and then dried after vacuum filtration). After the soaking test, although the profile of diffraction lines is broadened, its original crystal structure is retained. On the other hand, for P2 Na2/3Cr2/3Ti1/3O2 (P2-NaCrTi), and P3-Na0.58Cr0.58Ti0.42O2 (P3-NaCrTi), hydrated phases are formed. Figure 2 compares charge/discharge curves of these layered oxides after the soaking test. Electrodes with P2-NaCrMgTi, which have a minor change in crystal structure, shows the deterioration in initial Coulomb efficiency, but no reduction in discharge capacity is evidenced. In contrast, both P2-NaCrTi and P3-NaCrTi, where the hydrated phases were formed, shows the degradation in electrode reversibility. From these results, air storage stability of these different layered oxides is discussed in detail. Figure 1

DyMnO3: Synthesis, Characterization and Evaluation of Its Photocatalytic Activity in the Visible Spectrum.

DyMnO3 is a p-type semiconductor oxide with two crystal systems, orthorhombic and hexagonal. This material highlights its ferroelectric and ferromagnetic properties, which have been the subject of numerous studies. Nevertheless, its photocatalytic activity has been less explored. In this work, the photocatalytic activity of DyMnO3 is evaluated through the photodegradation of MG dye. For the synthesis of this oxide, a novel and effective method was used: polymer-decomposition. The synthesized powders contain an orthorhombic phase, with a range of absorbances from 300 to 500 nm and a band gap energy of 2.4 eV. It is also highlighted that, when using this synthesis method, some of the main diffraction lines related to the orthorhombic phase appear at 100 °C. Regarding its photocatalytic activity, it was evaluated under visible light (λ = 405 nm), reaching a photodegradation of approximately 88% in a period of 30 min. Photocurrent tests reveal a charge carrier separation (e-,h+) at a 405 nm wavelength. The main reactive oxygen species (ROS) involved in the photodegradation process were radicals, OH•, and photo-holes (h+). These results stand out because it is the first time that the photodegradation capability of this oxide in the visible spectrum has been evaluated.

Effect of Sn Addition on the Microstructure and Age-Hardening Response of a Zn-4Cu Alloy

The aim of this research is to assess the influence of Sn inclusion on the microstructure evolution and age-hardening response of a Zn-4Cu alloy. This is the first study to correlate the age-hardening response to the microstructure of Zn-4Cu alloy reinforced with different Sn contents. A series of Zn-4Cu-Sn alloys were successfully fabricated with different Sn concentrations in the range of 0.0–4.0 wt.% using permanent mold casting. The microstructure of Zn-4Cu-Sn alloys was investigated by means of a scanning electron microscope (SEM) attached with an energy dispersive spectroscope (EDS) and X-ray diffraction (XRD) line profile analysis. At room temperature, the Vickers microhardness measurements were used to assess the age-hardening response of alloys. The results show that the microhardness of the Zn-4Cu (ZC) binary alloy increases a little bit from 76 to 80 HV as the aging time increases from 2 to 128 h, respectively. For aging times up to 16 h, the microhardness of all Sn-containing alloys decreases but then increases again. The lowest hardness belongs to the ZC-1.5Sn alloy, and the Sn-Zn-3.0Sn alloy has the highest; the other alloys fall somewhere in between. At high aging times (64 and 128 h), the microhardness of all Sn-containing samples increased continuously with an increasing Sn content from 0.0 to 3.0 wt.%. When the Sn-containing alloys (3.5 and 4.0 wt.% Sn) were aged for 64 and 128 h, the hardness declined by 7.94% and 8.90% compared to their peak aging hardness values, respectively. By considering the structural changes that occur in the Zn-4Cu-Sn alloys, the reasons for the observed variations in microhardness data with increasing Sn content and aging time were elucidated. X-ray diffraction (XRD) data was analyzed to determine the zinc matrix’s lattice parameters, c/a ratio, and unit cell volume variations.

Micro-structural analysis of oxygen irradiated V-4Cr-4Ti by X-ray and electron back scattered diffraction

The effect of O6+ion irradiation on the microstructure of pre-deformed V-4Cr-4Ti alloy has been reported in this study. Changes in the microstructure has been assessed using detail X-ray diffraction line profile analysis in terms of the coherent domain size, rms micro-strain, dislocation density, their nature and their arrangement etc., revealing the importance of pre-deformation in controlling the material response to irradiation. The results are supported by Electron back scattered diffraction and Transmission electron microscopy. Energy Dispersive X-ray analysis has been used to map the micro-chemical changes caused in the sample due to the ion irradiation. Vicker's micro-hardness values were determined to understand the effect of irradiation on the mechanical property of the alloy. The results are explained in terms of the occurrence of vacancy-solute complexes, the formation of which isestablished using Density Functional Theory calculations..

Structure role of cesium bromide in calcium silicate glasses and glass ceramics

AbstractTo make the interpretation of the complex xCsBr.(100 − x)(CaO:SiO2) glasses easier to study, the structure of glasses in a binary composition CaO–SiO2 is being initially investigated. The changes in the crystallization behavior of glasses and the local environment surrounding silicon atoms could be easily followed using X-ray diffraction (XRD) and nuclear magnetic resonance (NMR) spectroscopy. The XRD pattern of the binary 50CaO–50SiO2 glass showed that its structure was amorphous. But when (CaO:SiO2) is replaced with CsBr, some sharp diffraction lines appear in system of the ternary xCsBr.(100 − x)(CaO:SiO2) glass composition. A Polycrystalline Cs2Ca(SiO3)2 structure is the primary phase in CsBr rich glasses. The results based on transmission electron microscopy (TEM-EDP) and X-ray diffraction pattern (XRD) are in excellent agreement, indicating that crystalline-clustered species develop in glasses enriched with CsBr. Both the NMR and FTIR spectra are clearly defined, and they contain different features that distinguish between different silicate structural subunits. One and two bridging oxygen atoms (BO) can be found in the main SiO4 structural units. Such units become less shielded due to increasing of nonbridging oxygen atoms (NBO) in the silicate network by increasing CsBr at the expense of both SiO2 and CaO. There is a good correlation between the data obtained from FTIR and NMR spectroscopy. Both techniques could differentiate between BO and NBO involved in the silicate structural units.

Polymorphism of anhydrous iron(II) oxalate

AbstractRecently, iron(II) oxalate has experienced a renewed interest due to their newly found application in lithium-ion batteries. Lithium is expected to be embedded between the oxalate sheets, dramatically increasing the need to understand the oxalate structure. Despite being known for decades, the discrepancies still exist regarding the anhydrous iron(II) oxalate. In this work, we explore the dehydration process of both α-FeC2O4·2H2O and β-FeC2O4·2H2O polymorphs at different heating rates and calcination temperatures by X-ray powder diffraction, Mössbauer spectroscopy and scanning electron microscopy. After dehydration, iron(II) oxalates formed two polymorphs with different XRD patterns: α-FeC2O4 with sharp and narrow diffraction lines and β-FeC2O4 with very broadened lines, which were attributed to the monoclinic structure with space group P21/n.

Evolution of the Structure and Phase Composition of a High-Entropic CoCrFeNiCu Alloy during Prolong Annealing

Abstract—The thermal stability of a high-entropy alloy (HEA) CoCrFeNiCu was studied during long-term annealing for 204 days in the temperature range 873–1273 K. The alloy obtained by mechanochemical alloying of metal powders in a planetary mill during 120 min in an Ar environment is a substitutional solid solution based on a high-entropy phase with a face-centered cubic structure (FCC). Upon annealing, the initial FCC phase decomposes within 1–3 days into a copper-enriched FCC1 phase and a copper-depleted FCC2 phase with similar crystal lattice parameters of 3.60 and 3.57 Å, respectively. During the entire annealing time, the intensities of the diffraction lines of theFCC1 and FCC2 phases are redistributed, the dynamics and nature of which depends on the temperature and duration of the process. After the first three days and until the end of the annealing, the HEA retains the FCC structure of the substitutional solid solution, and the unit cell parameters of the formed FCC phases remain constant with an error of 0.1% up to 204 days. The five-component matrix formed after annealing has the chemical composition Co0.23Cr0.23Fe0.23Ni0.23Cu0.08 and is stable. Also, during the entire period of annealing, an increase in the grain size is observed: at first, when an active rearrangement of the structure occurs, the size increases rapidly, then, in the period from 1 to 30 days, grain growth is limited by the diffusion of components, and at very long time intervals, grain growth is even more inhibited.

Griffinite, Al2TiO5: A New Oxide Mineral from Inclusions in Corundum Xenocrysts from the Mount Carmel Area, Israel

Griffinite (IMA 2021-110), ideally Al2TiO5, is a new mineral from inclusions in corundum xenocrysts from the Mount Carmel area, Israel. It occurs as subhedral crystals, ~1–4 μm in size, together with Zr-rich rutile within a corundum grain. In this study, a mean of eight electron probe microanalyses gave TiO2 44.41 (24), Al2O3 55.13 (18), FeO 0.47 (5), and MgO 0.37 (2), totaling 100.38 wt%, which corresponded, on the basis of a total of five oxygen atoms, to (Al1.97Mg0.02Fe0.01)Ti1.01O5. Electron back-scatter diffraction studies revealed that griffinite is orthorhombic and in the space group Cmcm, with a = 3.58 (2) Å, b = 9.44 (1) Å, c = 9.65 (1) Å, and V = 326 (2) Å3 with Z = 4. The six strongest calculated powder diffraction lines [d in Å (I/I0) (hkl)] are 3.347 (100) (110); 2.658 (90) (023); 4.720 (77) (020); 1.903 (57) (043); 1.790 (55) (200); and 1.688 (44) (134). In the crystal structure, Al3+ and Ti4+ are disordered into two distinct distorted octahedra, which form edge-sharing double chains. Griffinite is a high-temperature oxide mineral, formed in melt pockets in corundum-aggregate xenoliths derived from the upper mantle beneath Mount Carmel, Israel. The new mineral is named after William L. Griffin, a geologist at Macquarie University, Australia.

A re-evaluation of stannopalladinite using modern analytical techniques

AbstractAn investigation of sample 41647 from the Platinum Placer of Ugol'nyi Ruchei, Norilsk Cu–Ni deposit, Russia, stored in the systematic collection of the Fersman Mineralogical Museum, revealed that it contained a mineral that can be identified as the original stannopalladinite described in 1947. As the literature information on the latter is controversial, the mineral was re-investigated using modern analytical techniques. Stannopalladinite occurs as spherical and ovoid-shaped grains up to 0.08 mm, closely intergrown with tetraferroplatinum as part of flattened, prismatic crystals up to 6 mm long. The micro-indentation hardness of stannopalladinite (VHN, 30 g load) is 244 kg/mm2 (range 233–266, n = 4), corresponding to a Mohs hardness of 4. The calculated density is 9.781 g/cm3. In reflected light, stannopalladinite is pale pink. The bireflectance is noticeable only in oil immersion. In crossed nicols the mineral exhibits strong anisotropy with colour effects changing from reddish purple to greyish blue and polysynthetic twinning of grains. The reflectance curves show distinct anomalous dispersion. The chemical composition (wt.%, electron microprobe data, mean of 11 analyses) is: Cu 8.48, Pd 61.21, Pt 0.89, Sn 25.87, Pb 3.70, total 100.15. The empirical formula calculated on the basis of 4 atoms per formula unit is (Pd2.42Cu0.56Pt0.02)Σ3.00(Sn0.92Pb0.08)Σ1.00. The ideal chemical formula of stannopalladinite is therefore proposed as (Pd,Cu)3Sn instead of Pd3Sn2 used in the official IMA List of Minerals. The strongest powder X-ray diffraction lines are [dobs, Å (I, %) (hkl) ]: 2.292 (42) (231), 2.166 (100) (331), 2.034 (10) (710), 1.916 (15) (141) and 1.851 (15) (630). The powder X-ray data are indexed in the orthorhombic unit cell with a = 14.634(2), b = 8.5253(6), c = 4.5946(3) Å and V = 573.24(7) Å3 (Z = 8). Stannopalladinite can be reliably identified among all other minerals belonging to the binary Pd–Sn and ternary Pd–Cu–Sn systems by a combination of chemical, optical and X-ray data.

X-Ray Diffraction line profile analysis of defects and precipitates in high displacement damage neutron-irradiated austenitic stainless steels

Irradiation-induced defects and the precipitates in the wrapper material of the Indian Fast Breeder Test Reactor (FBTR), SS 316 are analyzed using the synchrotron source-based Angle Dispersive X-Ray Diffraction (ADXRD) technique with X-rays of energy 17.185 keV (wavelength ∼0.72146 Å). The differences and similarities in the high displacement damage samples as a function of dpa (displacement per atom) and dpa rate in the range of 2.9 × 10−7- 9 × 10−7dpa/s are studied. Ferrite and M23C6 are commonly observed in the present set of high displacement damage 40–74 dpa SS 316 samples irradiated at temperatures in the range of 400–483 °C. Also, the dislocation density has increased as a function of the irradiation dose. The X-ray diffraction peak profile parameters quantified such as peak shift and asymmetry show that the irradiation-induced defects are sensitive to the dpa rate-irradiation temperature combinations. The increase in yield strength as a function of displacement damage is also correlated to the dislocation density.

Sidorovite, PtFe3, A NEW MINERAL FROM THE SNEGOVAYA RIVER PLACER, KORYAK HIGHLANDS, RUSSIA

Abstract Sidorovite, ideally PtFe3, is a new mineral from the Epilchik ultramafic complex and nearby Snegovaya River placer, Koryak Highlands, Russia. It was found in isoferroplatinum grains extracted from a heavy-mineral concentrate obtained from crushed lode chromitites and alluvial material. Sidorovite occurs either as a part of complex grains comprising tetraferroplatinum, native iron, hollingworthite, magnetite, serpentine, and chromite or as part of secondary rims which formed together with tetraferroplatinum after isoferroplatinum. According to the Laue pattern obtained by synchrotron microdiffraction, sidorovite is cubic, crystallizing in space group Pm3¯m and adopting an Au3Cu-type crystal structure. Its unit-cell parameters are a = 3.725(4) Å, V = 51.687(4) Å3, Z = 1. The calculated density is 11.815 g/cm3. The strongest X-ray diffraction lines are [d (Å) (I, %) (hkl)] 2.161 (100) (111), 3.711 (48) (100), 1.871 (36) (200), 1.673 (27) (210). No cleavage was observed and hardness could not be determined owing to the small size of the grains. The empirical formula of sidorovite calculated based on four atoms is: Pt1.04(Fe2.89Cu0.05Ni0.02)Σ2.96. The mineral is posited to form through the incorporation of Fe0 by tetraferroplatinum, which arises through the reduction of Fe via H2-bearing fluids produced through the serpentinization of olivine at T < 450 °C. The name of the new mineral honors the Russian geologist and mineralogist Evgeniy Gennadievich Sidorov (1955–2021).

Engineered asymmetric diffractions of diagonal-line odd-symmetric phase gratings

A two-dimensional multi-element phase grating has been designed in terms of the offset refractive index to exhibit the spatially odd symmetry (antisymmetry) along one transparent diagonal line with an even number of rectangular elements while leaving other elements in a unit cell opaque. This grating can be engineered to attain a few intriguing phenomena of asymmetric diffraction, including the elimination of equally spaced oblique diffraction lines, the elimination of alternately crossed oblique diffraction lines, and the selection of equally spaced oblique diffraction lines. These phenomena of engineered asymmetric diffraction are well explained via destructive interference between transmitted field amplitudes from paired, dual-paired, and successive elements along the transparent diagonal line.

Stibiotantalite from the Nanyangshan LCT Pegmatite, North Qinling Orogen, Central China: Occurrence and New Data on its Crystal Chemistry

ABSTRACT Stibiotantalite, SbTaO4, from the Nanyangshan LCT pegmatite, North Qinling Orogen, Central China is described. The mineral is associated with oxystibiomicrolite, oxycalcioroméite, hydrokenomicrolite, hydroxynatromicrolite, hydromicrolite, stibnite, bismuthinite, tantalite-(Mn), columbite-(Mn), spodumene, polylithionite, trilithionite, luanshiweiite, fluorluanshiweiite, elbaite, albite, and quartz. Results from electron microprobe data analysis (n = 4) yield the average empirical formula (based on O = 4): (Sb0.96Bi0.04)Σ1.00(Ta0.85Nb0.15)Σ1.00O4. The seven strongest X-ray powder diffraction lines are [d in Å (I)(hkl)] 3.126(100)(121), 2.964(81)(040), 5.976(27)(020), 3.515(22)(111), 1.891(22)(240), 1.736(19)(161), and 2.693(16)(131). Single-crystal X-ray diffraction (SXRD) patterns show strong reflections consistent with space group Pna21. The refined unit-cell parameters from the SXRD data are a 5.5419(2) Å, b 4.9200(2) Å, c 11.8003(5) Å, and V 321.75(2) Å3 with Z = 4. The structure has been refined to a final R1 = 0.0173 on the basis of 766 reflections with Fo > 4σ(Fo). In the previous study, the AO6 octahedron of stibiotantalite was close to an ideal octahedron. The new structure refinement of stibiotantalite from the Nanyangshan pegmatite indicates that the AO6 octahedron has a larger distortion due to the lone-pair effect of Sb3+. The high-quality structural data presented in this study gives a more accurate portrayal of the crystal structure of stibiotantalite than provided in the original description of the mineral.