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Topic: Unit cell structure  (Read 2846 times)

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Offline rekhasharma

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Unit cell structure
« on: March 15, 2010, 01:45:25 PM »
I am struggling with  no. of atom per unit cell of Rutile TiO2 ( tetragonal system) atom positions--- Ti (1) 000 (2) 1/2,1/2,1/2 (1) 3/10, 3/10, 0 (2)4/5, 1/5 1/2 (3)7/10, 7/10, 0 (4) 1/5, 4/5, 1/2

Offline onn

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Re: Unit cell structure
« Reply #1 on: April 02, 2010, 05:40:39 PM »
I am struggling with  no. of atom per unit cell of Rutile TiO2 ( tetragonal system) atom positions--- Ti (1) 000 (2) 1/2,1/2,1/2 (1) 3/10, 3/10, 0 (2)4/5, 1/5 1/2 (3)7/10, 7/10, 0 (4) 1/5, 4/5, 1/2

corners: 1/8

edges: 1/4

faces: 1/2

central: 1

These are the partial values that make up the no of atoms in a unit cell. ie if you try for Na in NaCl, sum up the total for Na, then you'd get 6.

Try draw out the perspective structure for the rutile structure, and do the same thing.

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