Relevant bibliographies by topics / Octahedral sites

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'Octahedral sites'

Author: Grafiati
Published: 4 June 2021
Last updated: 15 February 2022

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Journal articles on the topic "Octahedral sites"

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Post, Jeffrey E., Peter J. Heaney, and Andreas Ertl. "Rietveld refinement of the ranciéite structure using synchrotron powder diffraction data." Powder Diffraction 23, no. 1 (2008): 10–14. http://dx.doi.org/10.1154/1.2836477.

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Rietveld refinement using synchrotron powder X-ray diffraction data of the ranciéite, Ca0.19K0.01(Mn4+0.91◻0.09)O2⋅0.63H2O, crystal structure reveals significant differences from that reported previously. The interlayer H2O molecules occupy sites halfway between the Mn,O octahedral sheets. The Mn sites in the octahedral sheets have 10% vacancies, and the mean Mn–O distance indicates that all Mn is tetravalent (Mn4+). The interlayer Ca cations are located above and below the Mn vacancies and are octahedrally coordinated to three O2 atoms in the octahedral sheet and three H2O molecules in the in
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Gaister, A. V., E. V. Zharikov, G. M. Kuz’micheva, Yu M. Papin, V. B. Rybakov, and V. A. Smirnov. "Octahedral Cr3+ sites in LiGaO2." Doklady Physics 45, no. 5 (2000): 191–93. http://dx.doi.org/10.1134/1.171739.

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Hawthorne, F. C., and M. A. Cooper. "The crystal structure of chalcoalumite: mechanisms of Jahn-Teller-driven distortion in [6]Cu2+-containing oxysalts." Mineralogical Magazine 77, no. 7 (2013): 2901–12. http://dx.doi.org/10.1180/minmag.2013.077.7.02.

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AbstractThe crystal structure of chalcoalumite, ideally Cu2+Al4(SO4)(OH)12(H2O)3, monoclinic, P21/n, Z = 4:a 10.228(3), b 8.929(3), c 17.098(6) Å, β 95.800(11)°, V 1553.6(1.5) Å3, has been refined to R1 = 3.08% for 4,022 unique observed (4σ) reflections collected on a Bruker D8 three-circle diffractometer equipped with a rotating-anode generator, multilayer optics and an APEX-II CCD detector. In the structure of chalcoalumite, there is one S site, tetrahedrally coordinated by four O anions, with <S–O> = 1.472 Å. There are four Al sites with site-scattering values in accord with occupancy
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Colombo, F., J. Rius, O. Vallcorba, and E. V. Pannunzio Miner. "The crystal structure of sarmientite, Fe23+ (AsO4)(SO4)(OH)·5H2O, solved ab initio from laboratory powder diffraction data." Mineralogical Magazine 78, no. 2 (2014): 347–60. http://dx.doi.org/10.1180/minmag.2014.078.2.08.

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AbstractThe crystal structure of sarmientite, Fe23+ (AsO4)(SO4)(OH)·5H2O, from the type locality (Santa Elena mine, San Juan Province, Argentina), was solved and refined from in-house powder diffraction data (CuKα1,2 radiation). It is monoclinic, space group P21/n, with unit-cell dimensions a = 6.5298(1), b = 18.5228(4), c = 9.6344(3) Å, β = 97.444(2)º, V = 1155.5(5) Å3, and Z = 4. The structure model was derived from cluster-based Patterson-function direct methods and refined by means of the Rietveld method to Rwp = 0.0733 (X2 = 2.20). The structure consists of pairs of octahedral-tetrahedral
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Zhang Dan, Su Liang-Bi, Xu Jun, Yang Qiu-Hong, Zhang Lian-Han, and Li Hong-Jun. "Spectroscopic behavior of Cr4+ in octahedral sites." Acta Physica Sinica 55, no. 6 (2006): 3193. http://dx.doi.org/10.7498/aps.55.3193.

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Levin, Igor, Tammy G. Amos, Juan C. Nino, et al. "Crystal Structure of the Compound Bi2Zn2/3Nb4/3O7." Journal of Materials Research 17, no. 6 (2002): 1406–11. http://dx.doi.org/10.1557/jmr.2002.0209.

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The crystal structure of Bi2Zn2/3Nb4/3O7 was determined using a combination of electron, x-ray, and neutron powder diffraction. The compound crystallizes with a monoclinic zirconolite-like structure [C2/c (No.15) space group, a = 13.1037(9) Å, b = 7.6735(3) Å, c = 12.1584(6) Å, β = 101.318(5)°]. According to structural refinement using neutron diffraction data, Nb preferentially occupies six-fold coordinated sites in octahedral sheets parallel to the (001) planes, while Zn is statistically distributed between two half-occupied (5 + 1)-fold coordinated sites near the centers of six-membered rin
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Abrahams, S. C., P. Marsh, L. F. Schneemeyer, C. E. Rice, and S. E. Spengler. "Semiconducting CsMo4−x O12(x≍0.13): Room temperature crystal structure and resistivity anisotropy of a new alkali molybdenum bronze." Journal of Materials Research 2, no. 1 (1987): 82–90. http://dx.doi.org/10.1557/jmr.1987.0082.

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Cesium molybdenum bronze, CsMo4xO12, is a recently discovered highly anisotropic semiconductor that crystallizes in the monoclinic system with space group C2/m and four formulas in the unit cell. The lattice constants at 295 K are a = 19.063(5), b = 5.5827(23), c = 12.1147(23) Å, and β = 118.94(2)°. The integrated intensities of 13.529 reflections within a full sphere of reciprocal space with radius (sin θ)/λ≤0.75 Å−1 were measured on a CAD-4 diffractometer with MoKα radiation, resulting in 12 553 reflections above background. Correction and averaging in C2/m gave 1923 significant and independ
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Jupe, A. C., J. K. Cockcroft, P. Barnes, S. L. Colston, G. Sankar, and C. Hall. "The site occupancy of Mg in the brownmillerite structure and its effect on hydration properties: an X-ray/neutron diffraction and EXAFS study." Journal of Applied Crystallography 34, no. 1 (2001): 55–61. http://dx.doi.org/10.1107/s0021889800016095.

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Samples of pure (Ca2FeAlO5) and lightly doped (Ca2Fe0.95Al0.95Mg0.05Si0.05O5) brownmillerite have been synthesized. Synchrotron X-ray and neutron diffraction data have been collected so that the structures can be refined using, simultaneously, both diffraction data sets and known compositional information; this overcomes the problem of under-determinacy resulting from multi-occupation of the tetrahedrally and octahedrally coordinated sites in the structure. For the pure form, a 2.7:1 iron/aluminium preference for octahedral/tetrahedral (respectively) occupation is obtained. This trend is refle
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Bonazzi, Paola, and Luca Bindi. "Determination of the tegengrenite superstructure: another case of tetrahedral Mn3+ in spinel-type minerals?" Mineralogical Magazine 79, no. 2 (2015): 425–36. http://dx.doi.org/10.1180/minmag.2015.079.2.19.

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AbstractThe crystal structure of the spinel-related, Sb mineral tegengrenite from the Filipstad district, Värmland, Sweden, has been solved in the space group R3 [a = 16.0285(9), c = 14.8144(8) Å, V = 3296.1(3) Å3, Z = 42] and refined up to R = 0.0484 for 3589 reflections with Fo > 4σ(Fo). Tegengrenite exhibits a rhombohedrally distorted spinel-type structure with cations occupying 1/8 of the tetrahedral (T) and 1/2 of the octahedral (M) interstices of a nearly regular cubic close-packing of oxygen atoms. Due to the cation ordering, which leads to a complex superstructure with a unit-cell v
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Schosseler, P. M. "Octahedral Sites in Talc Revisited: an EPR Study." Clay Minerals 33, no. 4 (1998): 661–64. http://dx.doi.org/10.1180/claymin.1998.033.4.13.

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Dissertations / Theses on the topic "Octahedral sites"

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Simmons, Christie. "The Quantum Dynamics of H2 in a C60 Lattice." Oberlin College Honors Theses / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=oberlin1125601106.

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Schumer, Benjamin N., Marcelo B. Andrade, Stanley H. Evans, and Robert T. Downs. "A new formula and crystal structure for nickelskutterudite, (Ni,Co,Fe)As-3, and occupancy of the icosahedral cation site in the skutterudite group." MINERALOGICAL SOC AMER, 2017. http://hdl.handle.net/10150/623060.

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We propose a new formula for the mineral nickelskutterudite, based on our observation that either (or both) Co or Fe3+ are essential structure constituents. The crystal structure of nickelskutterudite, (Ni,Co,Fe) As-3, cubic, Im (3) over bar, Z = 8: a = 8.2653(6) angstrom, V = 564.65(7) angstrom, has been refined to R-1 = 1.4% for 225 unique reflections I > 2 sigma(1) collected on a Bruker X8 four-circle diffractometer equipped with fine-focus, sealed tube MoKa radiation and an APEX-II CCD detector. This is the first report of the crystal structure of nickelskutterudite. Nickelskutterudite, a
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Aljaberi, Ahmed D. A. "Development and characterisation of an A-site deficient perovskite as alternative anode material for solid oxide fuel cells." Thesis, University of St Andrews, 2013. http://hdl.handle.net/10023/3690.

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The research presented in this thesis is a collection of many different, yet connected, parts that stemmed from the development of a new alternative material intended to be utilised as anode material in solid oxide fuel cells. The main part is the research conducted in the development and characterisation of the novel A-site deficient La₀.2₂Sr₀.₇₋ₓCaₓTiO₃. Calcium introduction resulted in reducing this perovskite unit cell volume which, at the beginning, enhanced its electrical conductivity in reducing conditions. However, the ideal cubic symmetry coud not be maintained, as in the starting mat
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Wang, Yi-Weng, and 王怡文. "Investigating the role of metal ions in octahedral versus tetrahedral sites of Co2+: ZnS nanocatalysts for photodegradation of malachite green." Thesis, 2019. http://ndltd.ncl.edu.tw/handle/6v4b6c.

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Ke, Wei-Hong, and 柯韋宏. "Synthesis of small Cu2O nanocubes and octahedra in aqueous solution with tunable sizes and their facet-dependent optical properties." Thesis, 2015. http://ndltd.ncl.edu.tw/handle/20016792018983875713.

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碩士<br>國立清華大學<br>化學系<br>103<br>Here we report two surfactant-free methods for synthesis of small Cu2O octahedra and nanocubes with a large range of size tenability in just 10 min. Cu2O octahedra with corner-to-opposite corner distance varying from 52 nm to 157 nm have been obtained by simply mixing aqueous Cu(NO3)2 solution, N2H4 solution, and different volumes of NaOH solution. Cu2O nanocubes with edge lengths from 9 nm to 87 nm can be synthesized by mixing aqueous CuSO4 solution, different volumes of NaOH solution, and ascorbic acid solution at 35 ºC. The particle size can be controlled syste
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Book chapters on the topic "Octahedral sites"

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Pardasani, R. T., and P. Pardasani. "Magnetic properties of chloro-bridged cobalt(II) complex with tetrahydrofuran and methanol having unique chains of alternating octahedral and tetrahedral cobalt(II) sites." In Magnetic Properties of Paramagnetic Compounds. Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-662-53971-2_460.

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Rickard, David. "Framboid Microcrystal Growth." In Framboids. Oxford University Press, 2021. http://dx.doi.org/10.1093/oso/9780190080112.003.0012.

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Framboid microcrystals grow through surface reaction of S<sub>2</sub>(-II) or H<sub>2</sub>S with =FeS moieties at defect sites on the pyrite crystal surface. The surface energies of pyrite vary from the most stable cubic through octahedral to pyritohedral and dodecahedral surfaces. Microcrystals commonly develop as truncated octahedra as the supersaturation decreases during crystal growth in sedimentary environments, although cubic forms may be favored under hydrothermal conditions. Screw dislocation growth followed by surface nucleation growth are the normal growth modes in sediments, whereas surface nucleation growth is likely to dominate in hydrothermal systems. The rate of crystal growth of framboids is unknown but appears to be very fast and normally diffusion-limited. Linear approximations to the diffusion equations show that average 6 μ‎m diameter framboids form in five days in sediments, and formation times increase exponentially from a few hours for ca. 2 μ‎m framboids to three years for the largest 250 μ‎m framboids.
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AKPORIAYE, D. E., and M. STöCKER. "SOLID STATE MAS NMR CHARACTERISATION OF THE TRANSFORMATION OF VPI-5 TO ALPO4-8: PRESERVATION OF THE OCTAHEDRAL ALUMINIUM SITES?" In Proceedings from the Ninth International Zeolite Conference. Elsevier, 1993. http://dx.doi.org/10.1016/b978-1-4832-8383-8.50066-0.

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Sumalatha, Edapalli, Dachepalli Ravinder, Nyathani Maramu, et al. "Crystal Chemistry, Rietveld Analysis, Structural and Electrical Properties of Cobalt-Erbium Nano-Ferrites." In Ferrite [Working Title]. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.98864.

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Synthesis of Cobalt-Erbium nano-ferrites with formulation CoErxFe2-xO4 (x = 0, 0.005, 0.010, 0.015, 0.020, 0.025, and 0.030) using technique of citrate-gel auto-combustion was done. Characterization of prepared powders was done by using XRD, EDAX, FESEM, AFM and FTIR Spectroscopy, DC resistivity properties respectively. XRD Rietveld Analysis, SEM, TEM and EDAX analysis were taken up in studying spectral, structural, magnetic and electrical properties. XRD pattern of CEF nano particles confirm single phase cubic spinal structure. The structural variables given by lattice constant (a), lattice volume (v), average crystallite size (D) and X-ray density(dx), Bulk density (d), porosity (p), percentage of pore space (P%), surface area (s), strain (ε), dislocation density (δ), along with ionic radii, bond length and hoping length were calculated. SEM and TEM results reveal homogeneous nature of particles accompanied by clusters having no impurity pickup. TEM analysis gives information about particle size of nanocrystalline ferrite while EDAX analysis confirm elemental composition. Emergence of two arch shaped frequency bands (ν1 and ν2) that represent vibrations at tetrahedral site (A) and octahedral site(B) was indicated by spectra of FTIR. The samples electrical resistivity (DC) was measured between 30°C -600°C with Two probe method. XRD Rietveld analysis confirm crystallite size lying between 20.84 nm–14.40 nm while SEM analysis indicate formation of agglomerates and TEM analysis indicate particle size ranging between 24 nm–16 nm. DC Electrical measurements indicate continuous decrease in resistivity with increasing temperature while increasing doping decreases curie temperature. The Magnetic parameters such as Saturation magnetization (Ms), Remanent magnetization (Mr), Coercivity (Hc) and Squareness ratio (R = Mr/Ms), Magnetic moment (nB) were altered by doping of Er+3 content in the increasing order (x = 0.00 to 0.030). The increasing erbium content decreases magnetization thus converting the sample into soft magnetic material. Observations indicated strong dependence of magnetic properties on Erbium substitution and coercivity varies in accordance with anisotropy constant. Due to the presence of magnetic dipole Erbium substituted cobalt ferrites can be used in electromagnetic applications. The present study investigates the effect of different compositions of Er3+ replaced for Fe on structural properties and electrical resistivity of cobalt ferrites.
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Conference papers on the topic "Octahedral sites"

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O’Toole, Stephen, and Nicholas Stevens. "High Temperature Diffusion of Oxygen in Chromite." In ASME 2006 Pressure Vessels and Piping/ICPVT-11 Conference. ASMEDC, 2006. http://dx.doi.org/10.1115/pvp2006-icpvt-11-93582.

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Molecular dynamics was used to calculate the diffusion coefficient of oxygen over a temperature range of 900–1700K. The chromite (FeCr2O4) system used consisted of 448 ions in a spinel structure. The spinel consisted of Fe2+ in tetrahedral sites and Cr3+ ions in octahedral sites surrounded by O2− ions. Schottky defects were made in the system by removing 10 oxygen ions, 4 iron ions and 4 chromium ions. The trajectory files from the simulations were examined for oxygen movement via a vacancy hopping mechanism and the mean-squared displacement of oxygen was plotted against time. A linear fit was
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Abu-Muharib, Andrew, Andrey P. Jivkov, Peter James, and John R. Yates. "Cleavage Fracture Modelling for RPV Steels: Discrete Model for Collective Behaviour of Micro-Cracks." In ASME 2013 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/pvp2013-97431.

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The ability to predict variations in cleavage fracture toughness behaviour of ferritic RPV steels, accounting for the effects of irradiation and defect geometry, is vital to safety assessment and life extension decisions. Local approaches to cleavage fracture offer a promising methodology to accomplish such calculations. However, the limited progress achieved by improving the local failure probability expression suggests that the methodology for calculating global cleavage might not be adequately representing real material. The basis for the existing methodology is the weakest-link assumption
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Oshtrakh, M. I., M. V. Ushakov, B. Senthilkumar, R. Kalai Selvan, C. Sanjeeviraja, and V. A. Semionkin. "Iron environment non-equivalence in both octahedral and tetrahedral sites in NiFe[sub 2]O[sub 4] nanoparticles: Study using Mössbauer spectroscopy with a high velocity resolution." In MOSSBAUER SPECTROSCOPY IN MATERIALS SCIENCE - 2012: Proceedings of the International Conference MSMS-12. AIP, 2012. http://dx.doi.org/10.1063/1.4759479.

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Wijeyeratne, Navindra, Firat Irmak, and Ali P. Gordon. "Crystal Visco-Plastic Model for Directionally Solidified Ni-Base Superalloys Under Monotonic and Low Cycle Fatigue." In ASME Turbo Expo 2021: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/gt2021-59581.

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Abstract Nickel-base superalloys (NBSAs) are extensively utilized as the design materials to develop turbine blades in gas turbines due to their excellent high-temperature properties. Gas turbine blades are exposed to extreme loading histories that combine high mechanical and thermal stresses. Both directionally solidified (DS) and single crystal NBSAs are used throughout the industry because of their superior tensile and creep strength, excellent low cycle fatigue (LCF), high cycle fatigue (HCF), and thermomechanical fatigue (TMF) capabilities. Directional solidification techniques facilitate
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Zhao, Qiang, Zheng Zhang, Yang Li, and Xiaoping Ouyang. "Diffusion of Fission Gas in Uranium Dioxide: A First-Principles Study." In 2017 25th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/icone25-67365.

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Uranium dioxide (UO2) is the typical fuel that is used in nuclear fission reactor, fission gas are produced during and after the reactor operation, and the fission gas have a significant impact on the performance of UO2 in reactor. In this paper, we investigated the effects of the fission gas on the performance of UO2 by using the first-principles calculation method based on the density functional theory. The results are that, the volume of UO2 increased when there is a fission gas atom enter in UO2 supercell; fission gas prefer to occupy the octahedral interstitial site over the uranium vacan
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Lewis, Benjamin, Jonah Leary, Cynthia Dickman, et al. "The NSF REU/RET Research on Energy Absorbing 3D Printed Polymer Structures." In ASME 2017 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/imece2017-70787.

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Energy absorption capability of structures with embedded pores depends upon the amount of voids present and their configurations/distributions. In this study, the energy absorption of acrylonitrile butadiene styrene (ABS) and polylactic acid (PLA) structures with varying pore shapes and sizes are investigated. The research was performed by two teams comprised of High School/Middle School teachers and undergraduate students as part of National Science Foundation (NSF) sponsored Research Experience for Teacher (RET)/Research Experience for Undergraduates (REU) teams. ABS samples were fabricated
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Hameed, Areeba, Khulood Logade, Naba Ali, et al. "Highly active Bifunctional Lamo3 (M=Cr, Mn, Fe, Co, Ni) Perovskites for Oxygen Reduction and Oxygen Evolution Reaction in Alkaline Media." In Qatar University Annual Research Forum & Exhibition. Qatar University Press, 2020. http://dx.doi.org/10.29117/quarfe.2020.0106.

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Lanthanum based electrocatalytically active perovskites, LaMO3 (M=Cr, Mn, Fe, Co, Ni), were synthesized using a single step solution combustion synthesis technique. The perovskites showed exceptional performance for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline medium. Based on the experimental results and literature survey, it is suggested that the exceptional activity of Mn and Co based lanthanum perovskite catalyst could be due to the optimum stabilization of reaction intermediates involved in the rate-determining step (RDS) of ORR/OER. According to crystal
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Adnan, Ashfaq, and Wing Kam Liu. "Electrostatic Self-Assembly of Functionalized Nanodiamonds and Their Binding Capacity With Doxorubicin Drugs." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13164.

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While cancers have no known cure, some of them can be successfully treated with the combination of surgery and systematic therapy. In general, systemic/widespread chemotherapy is usually injected into the bloodstream to attempt to target cancer cells. Such procedure often imparts devastating side effects because cancer drugs are nonspecific in activity, and transporting them throughout the bloodstream further reduces their ability to target the right region. This means that they kill both healthy and unhealthy cells. It has been observed that the physiological conditions of the fluids around l
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