Unit cell

The most basic geometric unit of crystal
Collection
zero Useful+1
zero
synonym Unit lattice (unit cell) generally refers to unit cell
The most basic geometric unit that constitutes a crystal is called a unit cell, whose shape, size and Spatial lattice Of Parallelepiped The unit is the same, and all features of the whole lattice are retained. The unit cell can completely reflect crystal Internal atoms or ions three-dimensional space The smallest unit of parallelepiped with chemical structural characteristics of distribution. Which can not only maintain crystal structure Of Symmetry The volume is also called "unit unit cell", but it is also often referred to as unit cell.
The smallest component of various crystal structures Volume unit It is called unit cell. [1]
Chinese name
Unit cell
Foreign name
Unit Cell
Alias
Unit cell
Definition
The most basic geometric unit of crystal
Form
The parallelepiped units of spatial lattices are the same

Basic Introduction

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Unit cell
Selection of unit cell
same Spatial lattice Different cells can be obtained due to different selection methods, so the requirements for selecting cells can best reflect the lattice Symmetry , the selection principle is [2]
1. Selected Parallelepiped It should reflect the highest symmetry of the lattice;
two Parallelepiped The number of equal internal edges and angles shall be the most;
3. When there is a right angle between the edges of a parallelepiped, the number of right angles shall be the maximum:
4. If the above conditions are met, the unit cell shall have the smallest volume
Face centered cubic cell
Its specific shape and size are determined by its three groups Arris length a. B, c and between edges Angle of intersection α. β, γ (collectively referred to as " Cell parameter ”)To represent, and Spatial lattice In Unit parallelepiped Correspondence. (《 unabridged dictionary 》Page 3970 of the 1999 edition) Unit cell is crystal Is the smallest unit in a crystal. The cells are juxtaposed to form crystals. Cellular Representativeness It is reflected in the following two aspects: first, it represents the chemical composition of the crystal; Second, representatives Symmetry of crystal , that is, it has the same Symmetrical element Axis of symmetry , symmetry plane and Symmetrical center )。
Generally, the unit cell is Parallelepiped The whole crystal can be regarded as countless crystal cells Gapless juxtaposition And become.
Please note that:
Gapless ——There is no gap between adjacent cells
Juxtaposition ——All unit cells are in parallel arrangement with the same orientation

Two-dimensional lattice

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Unit cell
There are five types of Brave lattices in the two-dimensional plane, two Crystal axis a 1、 a 2. Included angle. Oblique lattice : Any crystal axis a 1、 a 2. Only when rotating π or 2 π can it remain unchanged. square lattice Hexagonal lattice Rectangular lattice Centered rectangular lattice , but there is a Lattice point , so there are two drawing methods.

Three-dimensional lattice

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Unit cell
Brave lattice There are seven in the three-dimensional plane Crystal system , respectively Triclinic system Monoclinic system Orthorhombic system Tetragonal system Cubic system Trigonal system Hexagonal system According to simplicity, body center, face center and bottom center, there are 14 kinds of lattices.

Seven crystal systems

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Parallelepiped The geometric characteristics of can be determined by the relationship between side length and included angle. The side length and included angle of Bravo cell are called Cell parameter There are a total of 7 types of three-dimensional unit cells with different geometric characteristics, called the Bravis system. Their names, English names, symbols and geometric characteristics are as follows:
Cubic (c) a=b=c, α=β=γ=90 °, (only one cell parameter a)
Tetragonal (t) a=b ≠ c, α=β=γ=90 °, (with two cell parameters a and c)
Hexagonal (h) a=b ≠ c, α=β=90 °, γ=120 °, (there are two cell parameters a and c)
orthogonal (Italic) orthorhombic (o) a ≠ b ≠ c, α=β=γ=90 °, (there are three cell parameters a, b and c)
Monoclinic (m) a ≠ b ≠ c, α=γ=90 °, β ≠ 90 °, (there are 4 cell parameters a, b, c and β)
Triclinic anorthic (a) a ≠ b ≠ c, α ≠ β ≠ γ, (there are 6 cell parameters a, b, c, α, β and γ)
Rhombohedral (triangular) rhombohedral (R) a=b=c, α=β=γ ≠ 90 °, (there are two cell parameters a and α)

Prime polycrystal cell

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Unit cell
A unit cell is a descriptive crystal Microstructure The basic unit of, but not necessarily the smallest unit. The unit cell has Prime cell and Polycrystal cell Points. The prime unit cell, the symbol P, is the smallest unit in the crystal microscopic space, and cannot be smaller. The set of atoms in the prime unit cell is equivalent to the smallest set of atoms in the crystal micro space that make periodic translation, called Structural primitive
The polyunit cell is of primary unit cell polyploid , there are three types:
Split core cell (diploid), symbol is I
Face centered cell (4-ploid), symbol F

X-ray diffraction

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A simple lattice consists of only one kind of atom. Each cell has only one atom, which is distributed on the top corner of the cell Scattering intensity It is equivalent to the scattering intensity of an atom.
There are n atoms of the same or different kinds in the complex lattice unit cell. In addition to occupying the top corner of the unit cell, they may also appear in the body center, face center or other positions. [3]
Complex lattice unicellular Scattered wave amplitude Single expected Intracellular Atomic Scattering amplitude Vector synthesis of. Due to the interference of diffracted rays, the intensity in some directions will be strengthened, while the intensity in some directions will be weakened or even disappear. This rule is called System extinction (or structure extinction )。