Crystal Lattice Structures: Creation Date: 12 Sep 2002 Last Modified: 21 Oct 2004

# The Hypothetical cI54 Ferrite Structure

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• Ferrite is steel with a bcc 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.
• If we replace the Cr and Ni atoms by Fe, and take x1 = 1/6, x2 = y3 = 1/3, this becomes the bcc (A2) structure with abcc = a/3.
• This is the same structure as Sb2Tl7. It's just that we thought of this before we thought to look in Pearson's Handbook.

• Prototype: CrFe20Ni6 (hypothetical)
• Pearson Symbol: cI54
• Space Group: Im3m (Cartesian and lattice coordinate listings available)
• Number: 229
• Primitive Vectors:  A1 = -½ a X + ½ a Y + ½ a Z A2 = + ½ a X - ½ a Y + ½ a Z A3 = + ½ a X + ½ a Y - ½ a Z
• Basis Vectors:  B1 = 0 (Cr) (2a) B2 = + 2 x1 A1 + 2 x1 A2 + 2 x1 A3 = + x1 a X + x1 a Y + x1 a Z (Fe-I) (16f) B3 = + 2 x1 A1 = - x1 a X + x1 a Y + x1 a Z (Fe-I) (16f) B4 = + 2 x1 A2 = + x1 a X - x1 a Y + x1 a Z (Fe-I) (16f) B5 = + 2 x1 A3 = + x1 a X + x1 a Y - x1 a Z (Fe-I) (16f) B6 = - 2 x1 A1 - 2 x1 A2 - 2 x1 A3 = - x1 a X - x1 a Y - x1 a Z (Fe-I) (16f) B7 = - 2 x1 A1 = + x1 a X - x1 a Y - x1 a Z (Fe-I) (16f) B8 = - 2 x1 A2 = - x1 a X + x1 a Y - x1 a Z (Fe-I) (16f) B9 = - 2 x1 A3 = - x1 a X - x1 a Y + x1 a Z (Fe-I) (16f) B10 = + x2 A2 + x2 A3 = + x2 a X (Ni) (12e) B11 = + x2 A1 + x2 A3 = + x2 a Y (Ni) (12e) B12 = + x2 A1 + x2 A2 = + x2 a Z (Ni) (12e) B13 = - x2 A2 - x2 A3 = - x2 a X (Ni) (12e) B14 = - x2 A1 - x2 A3 = - x2 a Y (Ni) (12e) B15 = - x2 A1 - x2 A2 = - x2 a Z (Ni) (12e) B16 = + 2 y3 A1 + y3 A2 + y3 A3 = + y3 a Y + y3 a Z (Fe-II) (24h) B17 = + y3 A1 + 2 y3 A2 + y3 A3 = + y3 a X + y3 a Z (Fe-II) (24h) B18 = + y3 A1 + y3 A2 + 2 y3 A3 = + y3 a X + y3 a Y (Fe-II) (24h) B19 = - y3 A2 + y3 A3 = + y3 a Y - y3 a Z (Fe-II) (24h) B20 = - y3 A1 + y3 A3 = + y3 a X - y3 a Z (Fe-II) (24h) B21 = - y3 A1 + y3 A2 = + y3 a X - y3 a Y (Fe-II) (24h) B22 = - 2 y3 A1 - y3 A2 - y3 A3 = - y3 a Y - y3 a Z (Fe-II) (24h) B23 = - y3 A1 - 2 y3 A2 - y3 A3 = - y3 a X - y3 a Z (Fe-II) (24h) B24 = - y3 A1 - y3 A2 - 2 y3 A3 = - y3 a X - y3 a Y (Fe-II) (24h) B25 = + y3 A2 - y3 A3 = - y3 a Y + y3 a Z (Fe-II) (24h) B26 = + y3 A1 - y3 A3 = - y3 a X + y3 a Z (Fe-II) (24h) B27 = + y3 A1 - y3 A2 = - y3 a X + y3 a Y (Fe-II) (24h)

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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).