Crystal Lattice Structures:	Creation Date:  7 Feb 2003
	Last Modified: 21 Oct 2004

The W₂B₅ (D8_h) 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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• Compare this structure to Mo₂B₅ (D8_i) . In both the Boron atoms form buckled graphite sheets.

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• Prototype: W₂B₅
• Pearson Symbol: hP14
• Strukturbericht Designation: D8_h
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Reference: Wyckoff Vol II, pp. 188-9.
• Other compounds with this structure: Os₂B₅, Ru₂B₅, Ti₂B₅
• 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	=		0		(2a)	(B-I)
  B2	=	½ A3	=	½ c Z	(2a)	(B-I)
  B3	=	¼ A3	=	¼ c Z	(2b)	(B-II)
  B4	=	¾ A3	=	¾ c Z	(2b)	(B-II)
  B5	=	2/3 A1 + 1/3 A2 + ¼ A3	=	½ a X - 12-½ a Y + ¼ c Z	(2d)	(B-III)
  B6	=	1/3 A1 + 2/3 A2 + ¾ A3	=	½ a X + 12-½ a Y + ¾ c Z	(2d)	(B-III)
  B7	=	1/3 A1 + 2/3 A2 + zB A3	=	½ a X + 12-½ a Y + zB c Z	(4f)	(B-IV)
  B8	=	2/3 A1 + 1/3 A2 - zB A3	=	½ a X - 12-½ a Y - zB c Z	(4f)	(B-IV)
  B9	=	2/3 A1 + 1/3 A2 + (½ + zB) A3	=	½ a X - 12-½ a Y + (½ + zB) c Z	(4f)	(B-IV)
  B10	=	1/3 A1 + 2/3 A2 + (½ - zB) A3	=	½ a X + 12-½ a Y + (½ - zB) c Z	(4f)	(B-IV)
  B11	=	1/3 A1 + 2/3 A2 + zW A3	=	½ a X + 12-½ a Y + zW c Z	(4f)	(W)
  B12	=	2/3 A1 + 1/3 A2 - zW A3	=	½ a X - 12-½ a Y - zW c Z	(4f)	(W)
  B13	=	2/3 A1 + 1/3 A2 + (½ + zW) A3	=	½ a X - 12-½ a Y + (½ + zW) c Z	(4f)	(W)
  B14	=	1/3 A1 + 2/3 A2 + (½ - zW) A3	=	½ a X + 12-½ a Y + (½ - zW) c Z	(4f)	(W)

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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).