The C11_b 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.

I've rewritten the this page and pictures to reflect the real behavior of MoSi₂.

When c = 3 a and z = 1/3 the atoms are on the sites of a body centered cubic lattice. For MoSi₂ itself, Pearson's Handbook gives z = 0.333.

• Prototype: MoSi₂
• Pearson Symbol: tI6
• Strukturbericht Designation: C11_b
• Space Group: I4/mmm (Cartesian and lattice coordinate listings available)
• Number: 139

  The Mo atom sites on the (2a) site, while the Si atoms sit on the (4e) sites.

• Primitive Vectors:
  • A₁ = a X
  • A₂ = a Y
  • A₃= ½ a X + ½ a Y + ½ c Z
• Basis Vector:
  • B₁= 0   (Mo)   (2a)
  • B₂= + z A₁ + z A₂ + (1 - 2 z) A₃ = + (a/2) X + (a/2) Y + (½ - z) c Z   (Si)   (4e)
  • B₃= - z A₁ - z A₂ - (1 - 2 z) A₃ = - (a/2) X - (a/2) Y - (½ - z) c Z   (Si)   (4e)

See these vectors in a better notation.

Go back to the BCC Crystal Structure page.

Go back to Crystal Lattice Structure page.

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