Academic literature on the topic 'Hexagonal bipyramid structure'

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Journal articles on the topic "Hexagonal bipyramid structure"

1

Nordlander, Johanna, Margaret A. Anderson, Charles M. Brooks, Megan E. Holtz, and Julia A. Mundy. "Epitaxy of hexagonal ABO3 quantum materials." Applied Physics Reviews 9, no. 3 (2022): 031309. http://dx.doi.org/10.1063/5.0098277.

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Hexagonal ABO3 oxides ( A, B = cation) are a class of rich materials for realizing novel quantum phenomena. Their hexagonal symmetry, oxygen trigonal bipyramid coordination, and quasi-two dimensional layering give rise to properties distinct from those of the cubic ABO3 perovskites. As bulk materials, most of the focus in this class of materials has been on the rare-earth manganites, RMnO3 ( R = rare earth); these materials display coupled ferroelectricity and antiferromagnetic order. In this review, we focus on the thin-film manifestations of the hexagonal ABO3 oxides. We cover the stability of the hexagonal oxides and substrates which can be used to template the hexagonal structure. We show how the thin-film geometry not only allows for further tuning of the bulk-stable manganites but also allows for the realization of metastable hexagonal oxides such as the RFeO3 that combine ferroelectricity with weak ferromagnetic order. The thin-film geometry is a promising platform to stabilize additional metastable hexagonal oxides to search for predicted high-temperature superconductivity and topological phases in this class of materials.
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2

López-Alvarez, Miguel Ángel, Jorge Manuel Silva-Jara, Jazmín Guadalupe Silva-Galindo, et al. "Determining the Photoelectrical Behavior and Photocatalytic Activity of an h-YMnO3 New Type of Obelisk-like Perovskite in the Degradation of Malachite Green Dye." Molecules 28, no. 9 (2023): 3932. http://dx.doi.org/10.3390/molecules28093932.

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YMnO3 is a P-type semiconductor with a perovskite-type structure (ABO3). It presents two crystalline systems: rhombohedral and hexagonal, the latter being the most stable and studied. In the hexagonal system, Mn3+ ions are coordinated by five oxygen ions forming a trigonal bipyramid, and the Y3+ ions are coordinated by five oxygen ions. This arrangement favors its ferroelectric and ferromagnetic properties, which have been widely studied since 1963. However, applications based on their optical properties have yet to be explored. This work evaluates the photoelectric response and the photocatalytic activity of yttrium manganite in visible spectrum wavelengths. To conduct this, a rod-obelisk-shaped yttrium manganite with a reduced indirect bandgap value of 1.43 eV in its hexagonal phase was synthesized through the precipitation method. The synthesized yttrium manganite was elucidated by solid-state techniques, such as DRX, XPS, and UV-vis. It was non-toxic as shown by the 100% leukocyte viability of mice BALB/c.
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3

Li, Yaping, S. V. Krivovichev, and P. C. Burns. "The crystal structure of Na4(UO2)(CO3)3 and its relationship to schröckingerite." Mineralogical Magazine 65, no. 2 (2001): 297–304. http://dx.doi.org/10.1180/002646101550262.

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AbstractCrystals of the compound Na4(UO2)(CO3)3 have been synthesized and the structure has been solved. It is trigonal with a= 9.3417(6), c = 12.824(1) Å, V = 969.2(1) Å3, space group P3̄c1 and Z = 4. The structure was refined on the basis of F2 (wR2 = 4.2%) for all unique data collected using Mo-Kα X-radiation and a CCD-based detector. The final R1 was 2.0%, calculated for 534 unique observed (Fo ≥ 4σF) reflections, and the goodness-of-fit (S) was 0.91. The structure contains a uranyl tricarbonate cluster composed of a uranyl hexagonal bipyramid that shares three equatorial edges with CO3 triangles. The uranyl tricarbonate clusters are connected through NaO6 and NaO5 polyhedra, forming a heteropolyhedral framework structure. This compound may be related to a uranyl carbonate phase with the same composition which has been reported as an alteration phase on the surface of Chernobyl ‘lava’, and as a mineral in the Jachymov ore district, Czech Republic.
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4

Amirkhanov, Vladimir M., Joachim Sieler, Victor A. Trush, Vladimir A. Ovchynnikov, and Konstantin V. Domasevitch. "Synthesis, IR and X-Ray Studies of a Dioxouranium(VI) Nitrate Complex with N,N′-Tetraethyl-N″ -trichloracetylphosphortriamide." Zeitschrift für Naturforschung B 52, no. 10 (1997): 1194–98. http://dx.doi.org/10.1515/znb-1997-1008.

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A new dioxouranium(VI) nitrate complex with N,N′-tetraethyl-N″-trichloracetylphosphortriamide (HL = CCl3C(O)N(H)P(O)(NEt2)2) of composition UO2 (HL)2(NO3)2 (1) has been synthesised. The IR spectroscopic data reveal that the ambidentate ligand is coordinated to the metal center in a monodentate manner via the phosphoryl oxygen atom. The crystal and molecular structure of 1 has been determined from X-ray diffraction data (triclinic, space group P1̄ with a = 9.225(2), b = 10.360(2), c = 12.249(2) Å, α = 100.02 (1), β = 103.81(1), γ = 108.80 (1)°, Z = 1; R = 0.037 for 4092 unique reflections. The structure is made up of centrosymmetric molecules in which the neutral ligands HL are monocoordinated. Phosphoryl and carbonyl groups of the HL moieties are in the trans positions to each other. The axial vertices of the distorted hexagonal bipyramid of uranium are occupied by two oxo ligands [U-O 1.753(5) Å] while six oxygen atoms of phosphoryl and nitrate groups lie in the equatorial plane [U-O 2.347(5)-2.547(6)Å],
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5

Aitken, Jennifer A., and Mercouri G. Kanatzidis. "New Information on the Na-Ti-Se Ternary System." Zeitschrift für Naturforschung B 56, no. 1 (2001): 49–56. http://dx.doi.org/10.1515/znb-2001-0108.

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Abstract Molten Salt Fluxes, Polychalcogenide, Polyselenide Na2Ti2Se9 was first discovered in the quaternary system Na/Ti/P/Se, but it can be prepared rationally by dissolving Ti in a Na2Sex flux at 375 °C. The silverish dark red crystals are air-and water-stable. A new method for synthesizing Na4TiSe4 is also reported. Na2Ti2Se9 crystallizes in space group P21, with a = 12.785(4), b = 14.848(4), c = 13.961(4) Å, ß = 94.556(4)°, R1 = 0.0592 and wR2 = 0.1336. The structure is similar to that of KsNaTi6Se27. It contains infinite one dimensional chains which run parallel to the c-axis and contain Ti4+ centers bonded to Se22- and Se2- species. The l/∞[Ti2(Se2)4Se]2- chains pack together in a hexagonal pattern. All of the titanium atoms are surrounded by a pentagonal bipyramid of selenium atoms. The selenium atoms bridge the Ti centers in two different ways. Na2Ti2Se9 is a semiconductor with a band gap, Eg, of ~ 1.02 eV. The Raman spectra are also reported.
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6

Philippo, S., J. Naud, J. P. Declercq, and J. Feneau-Dupont. "Structure refinement and X-ray powder diffraction data for kalipyrochlore (K,Sr,Na,Ca,H2O)2−m(Nb,Ti)2−xO6−wY1−n, with (0." Powder Diffraction 10, no. 3 (1995): 180–84. http://dx.doi.org/10.1017/s088571560001469x.

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The kalipyrochlore (K,Sr,Na,Ca,H2O)2−m(Nb,Ti)2−xO6−wY1−n, with (0<m<0.8, x∼0.2, w = 0 and 0.2<n<1) from Lueshe, Zaire is a defect pyrochlore species whose A-site weakly depleted. The measured powder diffraction is presented with a calculated figure of merit F(30) = 74.7(0.010,39). The structure has been refined by single-crystal from X-ray diffraction data collected on a Huber four-circle diffractometer and by Rietveld analysis from X-ray powder diffraction data. The slightly weathered crystal (studied by single crystal) has a cubic pyrochlore-type structure with the same atomic positions and a unit-cell parameter a = 10.603(5) Å, space group (S.G.): Fd3m. The highly weathered crystal (studied by Rietveld) has the same cubic pyrochlore-type structure except for the oxygen position. The oxygen moved from the 48f position with x, y, z equal to 0.284, 0, 0 to x = 0.308(5), y = 0.024(6) and z = –0.028(9). The cell parameter is a = 10.569(6)±0.0007 Å. These modifications of positions induce a distortion of the A-site into an hexagonal bipyramid and an elongation of the B-site along the c axis of the octahedron.
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7

Akifyev, Kirill, Nikita Kharin, Evgeny Statsenko, Oskar Sachenkov, and Pavel Bolshakov. "Pilot study of lattice endoprosthesis buckling by compression in-situ using X-ray tomography." Russian journal of biomechanics. 27, no. 4 (2023): 32–39. http://dx.doi.org/10.15593/rjbiomech/2023.4.03.

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Take into account additive manufacturing while design lattice implant can improve load-bearing properties and decrease construction weight. The usage of lattice structure and biomaterials makes it possible to solve the main problem of arthroplasty – preservation of the implant after surgery in the patient's body. Unfortunately, nowadays biomaterials do not have the necessary strength capacity. In spite of this, a lot of researches are directed towards to develop new design methods or improve the existing ones. There are number of articles focused on in-situ testing and quality control of lattice structures. The study is devoted to investigate the buckling of lattice structures under uniaxial compression with synchronous X-ray computed tomography scanning. In the article an experimental study of lattice structures of two kinds has been carried out. Edges of hexagonal bipyramid were a basic cell of the samples. The distribution of basic cells in the first type of construction was uniform, and was non-uniform in the second type. The studied samples were manufactured by laser stereolithography method. The lattice structures were loaded step-by-step with a longitudinal compressive load. The loading of the specimens was carried out in cooperation with their scanning by X-ray computed tomography. As a result, the displacement fields of structures at each step of loading were obtained. The general and local buckling of lattice structures was revealed. The general buckling occurred at the second loading step for each type of structure. Local buckling was observed at the third loading step. The influence of the architecture of the lattice structures on the buckling process was revealed. The effect of interruption of the buckling process was observed in the specimen with non-uniform distribution of basic cells. And because of that the structure continued to work in compression. In other words, the lattice architecture "dampened " the bending components of the displacement vector.
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8

Priyadharshini, S. Shwetha, Jayachamarajapura Pranesh Shubha, Jaydev Shivalingappa, et al. "Photocatalytic Degradation of Methylene Blue and Metanil Yellow Dyes Using Green Synthesized Zinc Oxide (ZnO) Nanocrystals." Crystals 12, no. 1 (2021): 22. http://dx.doi.org/10.3390/cryst12010022.

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In this work, ZnO nanocrystals (NCs) have been effectively synthesized by a simple, efficient and cost-effective method using coconut husk extract as a novel fuel. The synthesized NCs are characterized by UV-Vis, XRD, FT-IR, SEM, EDX, Raman and PL studies. The obtained ZnO were found to be UV-active with a bandgap of 2.93 eV. The X-ray diffraction pattern confirms the crystallinity of the ZnO with hexagonally structured ZnO with a crystallite size of 48 nm, while the SEM analysis reveals the hexagonal bipyramid morphology. Photocatalytic activities of the synthesized ZnO NCs are used to degrade methylene blue and metanil yellow dyes.
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9

Buck, Edgar C. "Interpreting Uranyl Mineral Diffraction Patterns." Microscopy and Microanalysis 4, S2 (1998): 560–61. http://dx.doi.org/10.1017/s1431927600022923.

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Secondary phases that form during the corrosion of nuclear waste forms may influence both the rate of waste form dissolution and the release of radionuclides [1]. The identification of these phases is critical in developing models for the corrosion behavior of nuclear waste forms. In particular, the secondary uranyl (VI) minerals that form during waste form alteration may control uranium solubility and release of radionuclides incorporated into these phases [2].The U6+ cation in uranyl minerals is almost always present as a linear (UO2)2+ ion [3]. This uranyl (Ur) ion is coordinated by four, five, or six anions (ϕ) in the equatorial plane resulting in the formation of square (Urϕ4), pentagonal (Urϕ5), and hexagonal (Urϕ6) bipyramids, respectively [3]. These bipyramid polyhedra may polymerize to form complex infinite sheet structures. The linking of Urϕ5 is observed in a number of uranyl minerals formed during waste glass and spent fuel corrosion [2,4], such as weeksite [Na,K(UO2)2(Si205)3*4H2O] and β-uranophane [Ca[(UO2)(SiO3OH)]2*5H2O].
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10

Melker, A. I., A. N. Matvienko, and M. A. Krupina. "Isomers of Fullerenes C58 to C60." Interdisciplinary Journal Nonlinear Phenomena in Complex Systems 27, no. 2 (2024): 163–84. https://doi.org/10.5281/zenodo.12621762.

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We have designed possible structures of isomers of fullerenes from C<sub>58</sub> to C<sub>60</sub>. The fullerenes studied refer to four-, five- and six-fold symmetry, they being divided into two classes, perfect (basic) having ordinary symmetry and intermediate having topological symmetry. We have used three the most natural mechanisms of their formation, namely, fusion of carbon cupolas having the same symmetry; fusion of fullerenes having compatible symmetry and embedding carbon dimers into the hexagons with a specific surrounding of initial fullerenes. The energies of the fullerenes calculated through the use of molecular mechanics are presented together with their graphs. We have separated fragments of curvature and put into accordance with their centers the centers of principal stresses. The arrangement of both centers for the five observed experimentally isomers of fullerene C<sub>60</sub> corresponds to five geometric figures: icosahedron, pentagonal, hexagonal, deformed hexagonal bipyramids and cube. As a result the binding energy of isomers can be considered not only as a global quantity, but as a surface distribution.
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Book chapters on the topic "Hexagonal bipyramid structure"

1

Pettifor, D. G. "Structure of molecules." In Bonding and Structure of Molecules and Solids. Oxford University PressOxford, 1995. http://dx.doi.org/10.1093/oso/9780198517870.003.0004.

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Abstract Molecules show a wide variety of structure, the number of variants increasing dramatically with number of atoms in the molecule. Thus, whereas the dimer displays only one structure type, the trimer can be either linear like CO2 or bent like H20. Molecules with four atoms, on the other hand, can take the one-dimensional linear chain structures like H4, the two-dimensional square ring structure like S4 or the rhombic close-packed planar structure like Si4, the three-dimensional tetrahedral structure like P4, or numerous other distorted structural variants. The five-atom molecule, as we have already seen in Fig. 1.15, chooses the close-packed plane as its ground state structure for Na5, the trigonal bipyramid for Mg5 and Si5, the regular pyramid for Al5, and the envelope structure for S5 respectively. The six-atom molecule can choose between the one-dimensional linear chain, the two-dimensional hexagonal ring or close-packed plane, the three-dimensional pentagonal pyramid, trigonal tripyramid, trigonal prism, or octahedron-to name but a few! The energy difference between these competing structure types is usually very small, often being of the order of 1% of the binding energy or less. Hence, the reliable prediction of the ground-state structure of a particular molecule requires self-consistent quantum mechanical calculations of high precision that expend large amounts of computer time.
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