Reduced cell crystallography

  • What determines crystal structure?

    Crystal structures are determined by scattering experiments using a portion of the crystal as the target.
    A beam of particles is sent toward the target, and upon impact some of the particles scatter from the crystal and ricochet in various directions..

  • What is a primitive cell in crystallography?

    A primitive cell is a unit cell that contains exactly one lattice point.
    It is the smallest possible cell.
    If there is a lattice point at the edge of a cell and thus shared with another cell, it is only counted half.
    Accordingly, a point located on the corner of a cube is shared by 8 cubes and would count with 18 ..

  • What is a reduced unit cell?

    The reduced cell is a unique primitive cell of the lattice, which is based on the three shortest lattice translations.
    For the precise mathematical definition of the reduced cell and form and for procedures to calculate this cell, see [2] and NBS Technical Note 1290 [3]..

  • What is difference between primitive cell and unit cell?

    The unit cell is defined as the smallest repeating unit having the full symmetry of a crystal structure.
    Crystal structure is described in terms of the geometry of arrangement of particles in the unit cell.
    A primitive cell is a crystal lattice of eight molecules bound in a geometric structure..

  • A2.
    A crystal structure is a unique arrangement of atoms, molecules or ions in a crystal.
    It is composed of a motif, which is a set of atoms arranged in a particular way, and a lattice.
    Motifs are located upon the points of lattice, which is an array of points repeating periodically in three dimensions.
The concept of a reduced cell has been familiar in the field of crystallography for several decades. The reduced cell used in this paper is a special cell, a specific one of the infinite number of cells which may be used to describe or characterize a lattice.
This seminal paper led to a mathematical approach to lattice analysis initially based on a systematic reduction proce- dure and the use of standard cells.

How can a reduced cell be used for compound identification?

By classifying all materials using the reduced cell, one obtains the basis for a powerful method for compound identification [5,7]

In this scheme, a unit cell of an unknown is transformed to the reduced cell, which is then matched against the file of known materials represented by their respective reduced cells

Fig 2

How do you determine reduced cells in crystallography?

Determination of Reduced Cells in Crystallography In theory, physical crystals can be represented by idealized mathematical lattices

Under appropriate conditions, these representations can be used for a variety of purposes, such as identifying, classifying, and understanding the physical properties of materials

What is a reduced cell algorithm?

The core of this algorithm is the calculation of the three shortest non-coplanar vectors to compose the reduced cell

The reduced cell is converted into the real-space reduced cell and then to the Bravais-lattice unit cell

To identify an unknown crystalline material, a primitive cell is first determined experimentally, then it is reduced and checked against the file for a match. Even if the cell of the unknown lattice is not primitive, identification is still possible by calculating appropriate derivative lattices, reducing them, and then checking the file.

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