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

The BN (B12) Crystal 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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• This is the structure of BN found in Volume 18 of the Structure Reports. Wyckoff gives what he calls a ``revised'' structure, which Pearson's Handbook and other sources reference as the B_k structure.
• Note that this structure is crystallographically equivalent (i.e., it as the same space group and Wyckoff positions) to the buckled graphite structure.
• Without loss of generality we take z₁ = 0
• In the pictures above we give z₂ the exaggerated value of 0.1. According the Structure Reports 18, 125-126 (1940-41), z₂ = 0.05.

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• Prototype: BN
• Pearson Symbol: hP4
• Strukturbericht Designation: B12
• Space Group: P6₃mc (Cartesian and lattice coordinate listings available)
• Number: 186
• Reference: Structure Reports 18, 125-6 (1940-41)
• Other systems with this Structure: buckled graphite
• Primitive Vectors:

  A1	=	½ a X - ½ 31/2 a Y
  A2	=	½ a X + ½ 31/2 a Y
  A3	=	c Z

• Basis Vectors:

  B1	=	z1 A3	=	z1 c Z	(2a)	(N)
  B2	=	(½ + z1)A3	=	(½ + z1) c Z	(2a)	(N)
  B3	=	1/3 A1 + 2/3 A2 + z2 A3	=	½ a X + a/(121/3) Y + z2 c Z	(2b)	(B)
  B4	=	2/3 A1 + 1/3 A2 + (½ + z2) A3	=	½ a X - a/(121/3) Y + (½ + z2) c Z	(2b)	(B)

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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).