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

The Al₅C₃N (E9₄) Structure

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• All of the z_i 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.

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• 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: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The 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).