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

# A Hypothetical cP32 Austenite Structure

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• 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 (1a) atom gives a structure which can be used to calculate the vacancy formation energy in fcc elemental solids.
• If we set x1 = x2 = ¼, the atoms are on the sites of an fcc lattice with lattice constant afcc = ½ a.
• Replacing the Fe-III atom by a Cr atom, while keeping all of the other atoms the same, reduces this configuration to our hypothetical cI32 austenite structure.

• Prototype: CrFe25Ni6 (hypothetical)
• Pearson Symbol: cP32
• Space Group: Pm3m (Cartesian and lattice coordinate listings available)
• Number: 221
• Primitive Vectors:  A1 = a X A2 = a Y A3 = a Z
• Basis Vectors:
Since this is a simple cubic lattice, we'll leave off the lattice coordinate expression of the basis vectors:  B1 = 0 (Cr) (4a) B2 = + x1 a Y + x1 a Z (Fe-I) (12i) B3 = + x1 a X + x1 a Z (Fe-I) (12i) B4 = + x1 a X + x1 a Y (Fe-I) (12i) B5 = + x1 a Y - x1 a Z (Fe-I) (12i) B6 = + x1 a X - x1 a Z (Fe-I) (12i) B7 = + x1 a X - x1 a Y (Fe-I) (12i) B8 = - x1 a Y + x1 a Z (Fe-I) (12i) B9 = - x1 a X + x1 a Z (Fe-I) (12i) B10 = - x1 a X + x1 a Y (Fe-I) (12i) B11 = - x1 a Y - x1 a Z (Fe-I) (12i) B12 = - x1 a X - x1 a Z (Fe-I) (12i) B13 = - x1 a X - x1 a Y (Fe-I) (12i) B14 = ½ a X (Ni-I) (3d) B15 = ½ a Y (Ni-I) (3d) B16 = ½ a Z (Ni-I) (3d) B17 = + ½ a X + x2 a Y + x2 a Z (Fe-II) (12j) B18 = + x2 a X + ½ a Y + x2 a Z (Fe-II) (12j) B19 = + x2 a X + x2 a Y + ½ a Z (Fe-II) (12j) B20 = + ½ a X + x2 a Y - x2 a Z (Fe-II) (12j) B21 = + x2 a X + ½ a Y - x2 a Z (Fe-II) (12j) B22 = + x2 a X - x2 a Y + ½ a Z (Fe-II) (12j) B23 = + ½ a X - x2 a Y + x2 a Z (Fe-II) (12j) B24 = - x2 a X + ½ a Y + x2 a Z (Fe-II) (12j) B25 = - x2 a X + x2 a Y + ½ a Z (Fe-II) (12j) B26 = + ½ a X - x2 a Y - x2 a Z (Fe-II) (12j) B27 = - x2 a X + ½ a Y - x2 a Z (Fe-II) (12j) B28 = - x2 a X - x2 a Y + ½ a Z (Fe-II) (12j) B29 = ½ a Y + ½ a Z (Ni-II) (3d) B30 = ½ a X + ½ a Z (Ni-II) (3d) B31 = ½ a X + ½ a Y (Ni-II) (3d) B32 = ½ a X + ½ a Y + ½ a Z (Fe-III) (1b)

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 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).