Crystal Lattice Structures: Creation Date: 19 Feb 2003 Last Modified: 21 Oct 2004

# The Al5C3N (E94) Structure

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• All of the zi parameters can be shifted by a constant amount. Here, the shift has apparently been made so that the Nitrogen atoms have z9 = ¼.
• We've put this in the Carbon and Related Structures section because of the apparent sp3-like bonding.

• Prototype: Al5C3N
• Pearson Symbol: hP18
• Strukturbericht Designation: E94
• Space Group: P63mc (Cartesian and lattice coordinate listings available)
• Number: 186
• Reference: Strukturbericht Vol. III, pp. 73-4.
• Primitive Vectors:  A1 = ½ a X - ½ 3½ a Y A2 = ½ a X + ½ 3½ a Y A3 = c Z
• Basis Vectors:  B1 = z1 A3 = z1 c Z (Al-I) (2a) B2 = (z1 + ½) A3 = (z1 + ½) c Z (Al-I) (2a) B3 = 1/3 A1 + 2/3 A2 + z2 A3 = ½ a X - 12-½ a Y + z2 c Z (Al-II) (2b) B4 = 2/3 A1 + 1/3 A2 + (z2 + ½) A3 = ½ a X + 12-½ a Y + (z2 + ½) c Z (Al-II) (2b) B5 = 1/3 A1 + 2/3 A2 + z3 A3 = ½ a X - 12-½ a Y + z3 c Z (Al-III) (2b) B6 = 2/3 A1 + 1/3 A2 + (z3 + ½) A3 = ½ a X + 12-½ a Y + (z3 + ½) c Z (Al-III) (2b) B7 = z4 A3 = z4 c Z (Al-IV) (2a) B8 = (z4 + ½) A3 = (z4 + ½) c Z (Al-IV) (2a) B9 = 1/3 A1 + 2/3 A2 + z5 A3 = ½ a X - 12-½ a Y + z5 c Z (Al-V) (2b) B10 = 2/3 A1 + 1/3 A2 + (z5 + ½) A3 = ½ a X + 12-½ a Y + (z5 + ½) c Z (Al-V) (2b) B11 = 1/3 A1 + 2/3 A2 + z6 A3 = ½ a X - 12-½ a Y + z6 c Z (C-I) (2b) B12 = 2/3 A1 + 1/3 A2 + (z6 + ½) A3 = ½ a X + 12-½ a Y + (z6 + ½) c Z (C-I) (2b) B13 = z7 A3 = z7 c Z (C-II) (2a) B14 = (z7 + ½) A3 = (z7 + ½) c Z (C-II) (2a) B15 = 1/3 A1 + 2/3 A2 + z8 A3 = ½ a X - 12-½ a Y + z8 c Z (C-III) (2b) B16 = 2/3 A1 + 1/3 A2 + (z8 + ½) A3 = ½ a X + 12-½ a Y + (z9 + ½) c Z (C-III) (2b) B17 = z9 A3 = z9 c Z (N) (2a) B18 = (z9 + ½) A3 = (z9 + ½) c Z (N) (2a)

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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).