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Rutile, TiO 2 has a tetragonal crystal structure with a = b = 0 . 4 5 8 Rutile, T i O 2 has a

Rutile, TiO2 has a tetragonal crystal structure with a = b =0.458Rutile, TiO2 has a tetragonal crystal structure with a=b=0.458nm,c=0.295nm and ==
=90. The atomic coordinates are : (20 points)
Ti: 000,121212
: u u 0,-u-u0,12+u,12-u12,12-u12+u12, where u=0.31
a) Draw the unit cell and indicate the Ti and O atoms in the unit cell. Draw an accurate
projection of the plane containing the x and y axes (projection on z plane).
b) Determine the number of formula units per unit cell.
c) Find the number of oxygen atoms surrounding each titanium atom and the approximate
shape of the coordination polyhedron.
d) Derive an expression for the Ti-O interatomic distances (e.g. considering the Ti atom at 12
121?2 and calculate the actual distances. nm
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