-
301
Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Framework
Published 2017“…We report a hafnium-containing MOF, hcp UiO-67(Hf), which is a ligand-deficient layered analogue of the face-centered cubic fcu UiO-67(Hf). hcp UiO-67 accommodates its lower ligand:metal ratio compared to fcu UiO-67 through a new structural mechanism: the formation of a condensed "double cluster" (Hf12O8(OH)14), analogous to the condensation of coordination polyhedra in oxide frameworks. In oxide frameworks, variable stoichiometry can lead to more complex defect structures, e.g., crystallographic shear planes or modules with differing compositions, which can be the source of further chemical reactivity; likewise, the layered hcp UiO-67 can react further to reversibly form a two-dimensional metal-organic framework, hxl UiO-67. …”
Journal article -
302
Structural and magnetic properties of topotactically reduced YSr2Mn2O7-x (0 < x < 1.5)
Published 2006“…The variation in the anion vacancy distribution of these reduced phases as a function of stoichiometry is discussed in relation to the coordination polyhedra of the metal cations. Temperature-dependent magnetization data indicate strong antiferromagnetic coupling interactions in all samples. …”
Journal article -
303
Electronic, bonding and optical properties of the LiGaGe2X6 (X = S, Se, and Te) compounds: An ab initio study
Published 2019“…We show in this article, through a large body of calculations, the trend in the row of participating anions, S ⟶ Se ⟶ Te, enhances the polarization effect and the coordination structure distortions in the polyhedra groups forming the bonding pattern of the cell. …”
Article -
304
Brochosomes and Other Bioaerosols in the Surface Layer of the Atmosphere of Moscow Metropolis
Published 2023-03-01“…They are quasi-spherical hollow porous semi-regular polyhedra (truncated icosahedra) of 0.2–0.7 microns in size, consisting mainly of carbon and oxygen. …”
Get full text
Article -
305
Description of Dynamic Recrystallization by Means of An Advanced Statistical Multilevel Model: Grain Structure Evolution Analysis
Published 2022-05-01“…In the framework of this statistical approach, there is no mandatory requirement for continuous filling of the computational domain with crystallites; however, the material grain structure cannot be created arbitrarily. Using the Laguerre polyhedra, we develop a method of grain structure simulation coupled with subsequent processing and transferring of the necessary data on the grain structure to the modified statistical model. …”
Get full text
Article -
306
Crystal structure and Hirshfeld surface analysis of bis(μ-4-tert-butoxy-4-oxobut-2-en-2-olato)bis[(4-tert-butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]
Published 2023-05-01“…The molecular and crystal structure of the title binuclear Zn2+ complex, [Zn2(C8H13O3)4(C2H5OH)2], with enolated anionic tert-butylacetoacetate and ethanol was analysed. The coordination polyhedra of the Zn atoms are distorted octahedra formed by six oxygen atoms that belong to three ligand molecules and a coordinated ethanol molecule. …”
Get full text
Article -
307
About products of interaction of holmium chloride and bromide with carbamide
Published 2012-04-01“…For these compounds, coordination with metal occurs through the oxygen atoms of the water and carbamide molecules. The coordination polyhedra for I and II are distorted tetragonal antiprisms. …”
Get full text
Article -
308
Bumpy pyramid folding
Published 2015“…By Alexandrov’s theorem, the crease pattern is unique if it exists, but the general algorithm known for this theorem is pseudo-polynomial, with very large running time; ours is the first efficient algorithm for Alexandrov’s theorem for a special class of polyhedra. We also give a polynomial time algorithm that finds the crease pattern to produce the maximum volume triangulated polyhedron.…”
Get full text
Get full text
Get full text
Article -
309
Positive semidefinite rank
Published 2017“…The psd rank has many appealing geometric interpretations, including semidefinite representations of polyhedra and information-theoretic applications. In this paper we develop and survey the main mathematical properties of psd rank, including its geometry, relationships with other rank notions, and computational and algorithmic aspects.…”
Get full text
Get full text
Get full text
Article -
310
Structural evolution of Ti50Cu50 on rapid cooling by molecular dynamics simulation
Published 2013“…Due to the existence of bcc clusters and the other distorted polyhedra other than full icosahedra, the structural analysis reconfirms the inference from the Gibbs free energy calculation.…”
Get full text
Get full text
Journal Article -
311
Actuation of DNA cages and their potential biological applications
Published 2015“…<p>DNA cages are polyhedra self-assembled from synthetic oligonucleotides in a one-pot process. …”
Thesis -
312
Structural study of amorphous CoFeB thin films exhibiting in-plane uniaxial magnetic anisotropy
Published 2009“…These simulations find a range of local coordination polyhedra present in the material. Despite an average coordination number of approximately 8 for the transition-metal component, a degree of medium-range order, and a stoichiometry close to Co50 Fe50, large local deviations from this octahedral value mean that the structure is not based on bcc-type basic units. © 2009 The American Physical Society.…”
Journal article -
313
Polyamorphism in aluminate liquids
Published 2003“…However, the data indicate that changes occur among the packing geometries and clustering of the Al-O and Y-O coordination polyhedra, i.e., within the second-nearest-neighbour shell defined by the metal-metal (i.e., Y-Y, Y-Al and Al-Al) interactions. …”
Journal article -
314
Structural changes in supercooled Al2O3-Y2O3 liquids.
Published 2013“…We show that the incipient liquid-liquid phase transition behaviour is correlated with local density fluctuations that represent different coordination polyhedra surrounding oxygen ions. The difference in energy and volume associated with this sampling of high and low density basins in the underlying energy landscape is consistent with independent verifications of the volume and enthalpy differences between different amorphous forms. …”
Journal article -
315
Complex cation order in anion-deficient Ba(n)YFe(n-1)O(2.5n) perovskite phases.
Published 2012“…A rationalization for the observed structures is presented on the basis of the need to minimize lattice strain while maintaining the integrity of the local YO6 and FeO4 coordination polyhedra. The n = 4 member of the series, Ba4YFe3O10, adopts a cation and anion-vacancy disordered structure, which is attributed to dilution of the structure directing effects at extreme Y:Fe stoichiometric ratios. …”
Journal article -
316
Using estimated thermodynamic properties to model accessory phases: the case of tourmaline
Published 2007“…To allow for estimates of tourmaline, fractional thermodynamic properties for B III and B IV polyhedra were derived. Mixing contributions to molar volume were evaluated and symmetrical mixing parameters derived for Al-Mg, Al-Fe and Al-Li interaction on tourmaline's Y-site and T-site Al-Si interaction. …”
Journal article -
317
CAD construction method of 3D building models for GIS analysis
Published 2012“…. – in this case they are polyhedra, sometimes of a complex shape. These allow for visualisation and analysis of a wide area like a city, but micro-scale analysis of interiors is not possible. …”
Conference or Workshop Item -
318
Comparative Study of the Compressibility of M<sub>3</sub>V<sub>2</sub>O<sub>8</sub> (M = Cd, Zn, Mg, Ni) Orthovanadates
Published 2022-10-01“…We found that the studied vanadates have an anisotropic response to compression and that the change in volume is basically determined by the compressibility of the divalent-cation coordination polyhedra. A systematic discussion of the bulk modulus of M<sub>3</sub>V<sub>2</sub>O<sub>8</sub> orthovanadates will also be included.…”
Get full text
Article -
319
Sr9La2(WO6)4 containing [WO6] octahedra
Published 2022-08-01“…The structure of Sr9La2(WO6)4 can be described on the basis of the double-perovskite structure with [WO6] and [(Sr/La)Ox] polyhedra alternately placed, and a vacancy (□).…”
Get full text
Article -
320
Effect of Reducing the Size and Number of Faces of Polyhedral Specimen on Wood Characterization by Ultrasound
Published 2023-07-01“…This research aimed to verify whether it is possible to reduce the polyhedra dimension without affecting the results of the elastic parameters obtained in wood characterization by ultrasound. …”
Get full text
Article