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Unit cell definition using parallelepiped with lengths a, b, c and angles between the sides given by α, β, γ [1]. A lattice constant or lattice parameter is one of the physical dimensions and angles that determine the geometry of the unit cells in a crystal lattice, and is proportional to the distance between atoms in the crystal.
Cell parameters are somewhat temperature and pressure dependent. Powder diffraction can be combined with in situ temperature and pressure control. As these thermodynamic variables are changed, the observed diffraction peaks will migrate continuously to indicate higher or lower lattice spacings as the unit cell distorts.
Here a, b and c are lattice constants in picometers, No is space group number and Z is the number of formula units per unit cell; fcc stands for the face-centered cubic symmetry. Density was not measured directly but calculated from the lattice parameters.
Note: If a third layer (not shown) is directly over the first layer, then the HCP lattice is built. If the third layer is placed over holes in the first layer, then the FCC lattice is created. To form an A-B-A-B-... hexagonal close packing of spheres, the coordinate points of the lattice will be the spheres' centers.
The lengths of principal axes/edges, of unit cell and angles between them are lattice constants, also called lattice parameters or cell parameters. The symmetry properties of crystal are described by the concept of space groups. [1] All possible symmetric arrangements of particles in three-dimensional space may be described by 230 space groups.
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More powerful algorithms also consider derivative super- and subcells. The lattice-matching process can be further sped up by precalculating and storing reduced cells for all entries. The algorithm searches for matches within a certain range of the lattice parameters. More accurate lattice parameters allow a narrower range and, thus, a better ...
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