Crystal structures

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Cartesian
1.665178945 0.961391512 8.575378173

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0.000000000 1.922783024 6.038945443
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1.665178945 0.961391512 3.653580904

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0.000000000 0.000000000 7.307161808
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A crystal is constructed by the infinite repetition of identical group of atoms.
A group is called basis.
The set of the mathematical points to which the basis is attached is called the lattice.

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 The lattices in one, two, or three dimensions are defined
by one or two, or three lattice vectors (translation vectors).
g.
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A set of points are a Lattice:

1) Any points should be defined as as integers times of lattice vectors.

2) The lattice looks the same viewed from any lattice point

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A crystal is constructed by the infinite repetition of identical group of atoms.
A group is called basis.
The set of the mathematical points to which the basis is attached is called the lattice.

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Zr2AlC MAX phase structure
1.0
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3.3303577900 0.0000000000 0.0000000000
-1.6651788950 2.8841744498 0.0000000000
At
← 0.0000000000 0.0000000000 14.6143236160
In
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4 2 2
Cartesian
1.665178945 0.961391512 8.575378173

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0.000000000 1.922783024 1.268216365
0.000000000 1.922783024 6.038945443
1.665178945 0.961391512 13.346107251
1.665178945 0.961391512 3.653580904

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0.000000000 1.922783024 10.960742712 *
0.000000000 0.000000000 7.307161808
0.000000000 0.000000000 0.000000000
Unit cell is a region of space that when we repeat it, we can construct full periodic structure
without any empty space or any overlap. We have many choices for unit cell.

Primitive unit cell: It is a unit cell with minimum volume (for three-dimensional systems) or minimum area (for two-dimensiona
systems, or minimum length (for one-dimensional systems). Another definition, a primitive unit cell is a unit cell containing
exactly one lattice point. The vectors of a primitive cell is called primitive lattice vector. The basis atoms associated with the
primitive cell is called a primitive basis.
Conventional unit cell or a non primitive cell or a convenient unit cell is a unit cell that is
integer times of a primitive cell.
 The lattice vectors are not unique

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A crystal can have various primitive vectors but the volume of the primitive vectors
are always the same.
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We have many ways/choices for constructing a primitive cell,
one of them is well known as Wigner-Sietz cell.

Wigner-Sietz cell indicates a region around a lattice point

that is closer to that point rather to any other points.
If we repeat it, we can cover all the structure.
Square lattice
 Square lattice

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Triangular lattice
 Triangular lattice

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 Honeycomb structure

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