Crystal Lattice Structures: Creation Date:  9 Apr 2002 Last Modified: 21 Oct 2004

# A Hypothetical cF108 Austenite Structure

You can now

• Austenite is steel with an fcc structure. This structure represents one possible ordering which might be found in an Fe-Ni-Cr steel. Note that it is not meant to represent a real steel.
• Removing the (4a) atom gives a structure which can be used to calculate the vacancy formation energy in fcc elemental solids.
• If we set x1 = 1/3, x2 = 2/3, and x3 = 2/3, the atoms are on the sites of an fcc lattice with lattice constant afcc = 1/3 a.

• Prototype: CrFe18Ni8 (hypothetical)
• Pearson Symbol: cF108
• Space Group: Fm3m (Cartesian and lattice coordinate listings available)
• Number: 225
• Primitive Vectors:  A1 = ½ a Y + ½ a Z A2 = ½ a X + ½ a Z A3 = ½ a X + ½ a Y
• Basis Vectors:  B1 = 0 (Cr) (4a) B2 = + 2 x1 A1 = + x1 a Y + x1 a Z (Fe-I) (48h) B3 = + 2 x1 A2 = + x1 a X + x1 a Z (Fe-I) (48h) B4 = + 2 x1 A3 = + x1 a X + x1 a Y (Fe-I) (48h) B5 = - 2 x1 A2 + 2 x1 A3 = + x1 a Y - x1 a Z (Fe-I) (48h) B6 = - 2 x1 A1 + 2 x1 A3 = + x1 a X - x1 a Z (Fe-I) (48h) B7 = - 2 x1 A1 + 2 x1 A2 = + x1 a X - x1 a Y (Fe-I) (48h) B8 = + 2 x1 A2 - 2 x1 A3 = - x1 a Y + x1 a Z (Fe-I) (48h) B9 = + 2 x1 A1 - 2 x1 A3 = - x1 a X + x1 a Z (Fe-I) (48h) B10 = + 2 x1 A1 - 2 x1 A2 = - x1 a X + x1 a Y (Fe-I) (48h) B11 = - 2 x1 A1 = - x1 a Y - x1 a Z (Fe-I) (48h) B12 = - 2 x1 A2 = - x1 a X - x1 a Z (Fe-I) (48h) B13 = - 2 x1 A3 = - x1 a X - x1 a Y (Fe-I) (48h) B14 = - x2 A1 + x2 A2 + x2 A3 = + x2 a X (Fe-II) (24e) B15 = + x2 A1 - x2 A2 + x2 A3 = + x2 a Y (Fe-II) (24e) B16 = + x2 A1 + x2 A2 - x2 A3 = + x2 a Z (Fe-II) (24e) B17 = + x2 A1 - x2 A2 - x2 A3 = - x2 a X (Fe-II) (24e) B18 = - x2 A1 + x2 A2 - x2 A3 = - x2 a Y (Fe-II) (24e) B19 = - x2 A1 - x2 A2 + x2 A3 = - x2 a Z (Fe-II) (24e) B20 = + x3 A1 + x3 A2 + x3 A3 = + x3 a X + x3 a Y + x3 a Z (Ni) (32f) B21 = + 3 x3 A1 - x3 A2 - x3 A3 = - x3 a X + x3 a Y + x3 a Z (Ni) (32f) B22 = - x3 A1 + 3 x3 A2 - x3 A3 = + x3 a X - x3 a Y + x3 a Z (Ni) (32f) B23 = - x3 A1 - x3 A2 + 3 x3 A3 = + x3 a X + x3 a Y - x3 a Z (Ni) (32f) B24 = - x3 A1 - x3 A2 - x3 A3 = - x3 a X - x3 a Y - x3 a Z (Ni) (32f) B25 = - 3 x3 A1 + x3 A2 + x3 A3 = + x3 a X - x3 a Y - x3 a Z (Ni) (32f) B26 = + x3 A1 - 3 x3 A2 + x3 A3 = - x3 a X + x3 a Y - x3 a Z (Ni) (32f) B27 = + x3 A1 + x3 A2 - 3 x3 A3 = - x3 a X - x3 a Y + x3 a Z (Ni) (32f)

Go back to the cubic close-packed 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).