Calculations of Solid Properties Using Wien2k Package
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Calculations of Solid Properties Using Wien2k Package

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Strukturbericht and Pearson Symbol

Calculations of Solid Properties Using Wien2k Package :: THEORY :: CHEMISTRY, CRYSTAL CHEMISTRY

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Strukturbericht and Pearson Symbol Empty Strukturbericht and Pearson Symbol

Post by Algerien1970 Wed 20 May - 15:08


Strukturbericht symbol, such as A2, B2, ... etc, is sometimes used for identifying a crystal structure. Elements is symbolized to be A**, and XY type compound is symbolized B**, XY2 type compound is C**, XmYn type is D** and a compound having more than three elements is E**. Some examples are listed below.


The Pearson symbol represents crystal system, type of Bravais lattice and number of atoms in the unit cell. For example, fcc (face centered cubic) structure is cubic system with face centered Bravais lattice involving 4 atoms in the init cell. So Pearson symbol of fcc structure is cF4. The crystal system is abbriviated to be a=triclinic, m=monoclinic, o=orthorhombic, t=tetragonal, h=hexagonal and trigonal and c=cubic. The Bravais lattice is represented to be P, S (for A, B and C), R, F and I.
Algerien1970
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Calculations of Solid Properties Using Wien2k Package :: THEORY :: CHEMISTRY, CRYSTAL CHEMISTRY

 
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