The Rutile (C4) Structure

Last modified 5 April 2001

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.

• Prototype: TiO₂
• Pearson Symbol: tP6
• Strukturbericht Designation: C4
• Space Group: P4₂/mnm (Cartesian and lattice coordinate listings available)
• Number: 136
• Other Elements with this Structure: CoF₂, MgF₂, MnF₂, NiF₂, ZnF₂, GeO₂, IrO₂, MoO₂, PbO₂, SnO₂, TaO₂, WO₂
• Primitive Vectors:
  • A₁ = a X
  • A₂ = a Y
  • A₃ = c Z
• Basis Vector:
  • B1= 0   (Ti)
  • B₂= ½ A₁ + ½ A₂ + ½ A₃ = ½ a X + ½ a Y + ½ a Z   (Ti)
  • B₃= + u A₁ + u A₂ = + a u X + a u Y   (O)
  • B₄= - u A₁ - u A₂ = - a u X - a u Y   (O)
  • B₅= (½ + u) A₁ + (½ - u) A₂ + ½ A₃ = (½ + u) a X + (½ - u) a Y +½ c Z   (S)
  • B₆= (½ - u) A₁ + (½ + u) A₂ + ½ A₃ = (½ - u) a X + (½ + u) a Y +½ c Z   (S)

See these vectors in a better notation.

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