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The close-packed-sphere model is often used to explain the frequent occurrence of face-centered cubic lattice structures. Recently, it has been found that in body- centered cubic and body-centered tetragonal lattices the volume of the interstitial void is maximized. In this paper all of the...
A modified method of describing lattices (or, equivalently, unit cells) is described. In the proposed parameterization, there is no discontinuous measure of agreement such as is found in studies of reduced cells. Although the Niggli reduced cell is uniquely defined for every lattice, the angles...
Oriented specimens of biomembranes give distinct X-ray diffraction patterns of circular symmetry along the equatorial plane. In order to interpret such a diffraction pattern, properties of the radial autocorrelation function were examined in detail in conjunction with electron-density...
Nonbonded potential parameters were derived from the crystal structures of five perchlorohydrocarbons. Intermolecular interactions were represented by interatomic (exp-6-1) nonbonded potential functions. Optimized values for the nonbonded potential parameters were obtained by four different...
Ternary oxides AMO2, A2MO3 and A5MO6 with monovalent A and tri-, tetra- or hepta-valent M metals can exhibit order/disorder transitions with about 20 superstructures of the NaC1 lattice. Some structures can be related to AM, A2M and A5M alloys with a larger distortion of the lattice due to...
High-resolution diffuse X-ray scattering (DXS) measurements have been made on dislocation-free silicon single crystals of the following types: (1) as-grown specimen with no heat treatment (labelled as NHT); (2) specimen heated at 1273 K under oxygen for 10 h labelled as HT(1) and (3) specimen...
Bis(benzonitrile)trichloromonooxovanadium(V), V(C6H5CN)2CI3O, crystallizes in the tetragonal system with a = b = 10.18 plus or minus 0.02 A, c = 31.58 plus or minus 0.04 A, Z = 8. In this crystal, stacking faults (a + b)/2 occur, giving diffraction lines with h + k = 2n + 1.
A new real-space method of calculating the dispersion surface and Bloch waves in cross-grating HEED is derived. Instead of using a large many-beam matrix to compute the dispersion surface, the equivalent two- dimensional band structure of allowed transverse energies of the Bloch waves is...
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