Crystal Lattice Structures: Creation Date: 26 Sep 1997 Last Modified: 10 Jun 2005

The Cementite (D011) Structure

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• Note that Bainite is another structure with composition Fe3C.

• Prototype: Fe3C
• Pearson Symbol: oP16
• Strukturbericht Designation: D011
• Space Group: Pnma (Cartesian and lattice coordinate listings available)
• Number: 62
• Reference: Villars and Calvert, Pearson's Handbook Vol. II, p. 1894.
• Primitive Vectors:  A1 = a X A2 = b Y A3 = c Z
• Basis Vectors:  B1 = + x1 A1 + ¼ A2 + z1 A3 = + x1 a X + ¼ b Y + z1 c Z (C) (4c) B2 = - x1 A1 + ¾ A2 - z1 A3 = - x1 a X + ¾ b Y - z1 c Z (C) (4c) B3 = (½ - x1) A1 + ¾ A2 + (½ + z1) A3 = (½ - x1) a X + ¾ b Y + (½ + z1) c Z (C) (4c) B4 = (½ + x1) A1 + ¼ A2 + (½ - z1) A3 = (½ + x1) a X + ¼ b Y + (½ - z1) c Z (C) (4c) B5 = + x2 A1 + ¼ A2 + z2 A3 = + x2 a X + ¼ b Y + z2 c Z (Fe I) (4c) B6 = - x2 A1 + ¾ A2 - z2 A3 = - x2 a X + ¾ b Y - z2 c Z (Fe I) (4c) B7 = (½ - x2) A1 + ¾ A2 + (½ + z2) A3 = (½ - x2) a X + ¾ b Y + (½ + z2) c Z (Fe I) (4c) B8 = (½ + x2) A1 + ¼ A2 + (½ - z2) A3 = (½ + x2) a X + ¼ b Y + (½ - z2) c Z (Fe I) (4c) B9 = + x3 A1 + y3 A2 + z3 A3 = + x3 a X + y3 b Y + z3 c Z (Fe II) (8d) B10 = - x3 A1 - y3 A2 - z3 A3 = - x3 a X - y3 b Y - z3 c Z (Fe II) (8d) B11 = (½ + x3) A1 + (½ - y3) A2 + (½ - z3) A3 = + (½ + x3) a X + (½ - y3) b Y + (½ - z3) c Z (Fe II) (8d) B12 = (½ - x3) A1 + (½ + y3) A2 + (½ + z3) A3 = + (½ - x3) a X + (½ + y3) b Y + (½ + z3) c Z (Fe II) (8d) B13 = - x3 A1 + (½ + y3) A2 - z3 A3 = - x3 a X + (½ + y3) b Y - z3 c Z (Fe II) (8d) B14 = + x3 A1 + (½ - y3) A2 + z3 A3 = + x3 a X + (½ - y3) b Y + z3 c Z (Fe II) (8d) B15 = (½ - x3) A1 - y3 A2 + (½ + z3) A3 = + (½ - x3) a X - y3 b Y + (½ + z3) c Z (Fe II) (8d) B16 = (½ + x3) A1 + y3 A2 + (½ - z3) A3 = + (½ + x3) a X + y3 b Y + (½ - z3) c Z (Fe II) (8d)

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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).