Crystal Lattice Structures: Creation Date: 26 Aug 2002 Last Modified: 21 Oct 2004

# The Zircon (ZrSiO4) Structure

You can now

• Prototype: ZrSiO4
• Pearson Symbol: tI24
• Space Group: I41/amd (Cartesian and lattice coordinate listings available)
• Number: 141
• Reference: Robinson, Gibbs, and Ribbe, American Mineralogist 56, 782-790 (1971).
• Primitive Vectors:  A1 = a X A2 = a Y A3 = ½ a X + ½ a Y + ½ c Z
• Basis Vectors:  B1 = - 1/8 A1 - 3/8 A2 + ¼ A3 = - ¼ a Y + 1/8 c Z (Zr) (2a) B2 = + 1/8 A1 + 3/8 A2 - ¼ A3 = + ¼ a Y - 1/8 c Z (Zr) (2a) B3 = - 3/8 A1 - 1/8 A2 - ¼ A3 = - ½ a X - ¼ a Y - 1/8 c Z (Si) (2b) B4 = + 3/8 A1 + 1/8 A2 + ¼ A3 = + ½ a X + ¼ a Y + 1/8 c Z (Si) (2b) B5 = - z A1 + ( y - z ) A2 + 2 z A3 = + y a Y + z c Z (O) (16h) B6 = - z A1 + ( ½ - y - z ) A2 + 2 z A3 = + ( ½ - y ) a Y + z c Z (O) (16h) B7 = - ( y + z ) A1 + ( ½ - z ) A2 + ( 2 z - ½ ) A3 = - ( ¼ + y ) a X + ¼ a Y + ( z - ¼ ) c Z (O) (16h) B8 = + ( ½ + y - z ) A1 + ( ½ - z ) A2 + ( 2 z - ½ ) A3 = + ( ¼ + y ) a X + ¼ a Y + ( z - ¼ ) c Z (O) (16h) B9 = + z A1 - ( y - z ) A2 - 2 z A3 = - y a Y - z c Z (O) (16h) B10 = + z A1 - ( ½ - y - z ) A2 - 2 z A3 = - ( ½ - y ) a Y - z c Z (O) (16h) B11 = + ( y + z ) A1 - ( ½ - z ) A2 - ( 2 z - ½ ) A3 = + ( ¼ + y ) a X - ¼ a Y - ( z - ¼ ) c Z (O) (16h) B12 = - ( ½ + y - z ) A1 - ( ½ - z ) A2 - ( 2 z - ½ ) A3 = - ( ¼ + y ) a X - ¼ a Y - ( z - ¼ ) c Z (O) (16h)

Go back to the quartz and related structures page.

Go back to Crystal Lattice Structure page.

 Structures indexed by: This is a mirror of an old page created at theNaval Research LaboratoryCenter for Computational Materials ScienceThe maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).