Crystal Lattice Structures:	Creation Date:  5 Nov 2002
	Last Modified: 21 Oct 2004

The AsTi (B_i) Structure

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• 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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• Wyckoff gives the prototype for this structure as PTi, and does not give a value for the internal parameter of AsTi. Accordingly, we use his PTi value z = 1/8 for the internal parameter in AsTi.

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• Prototype: AsTi
• Pearson Symbol: hP8
• Strukturbericht Designation: B_i
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Other compounds with this Structure: CMo, CSTi₂, CSZr₂, PTi, PZr
• Reference: Wyckoff Vol I, p 146.
• Primitive Vectors:

  A1	=	½ a X - ½ 3½ a Y
  A2	=	½ a X + ½ 3½ a Y
  A3	=	c Z

• Basis Vectors:

  B1	=		0		(As-I)	(2a)
  B2	=	½ A3	=	½ c Z	(As-I)	(2a)
  B3	=	2/3 A1 + 1/3 A1 + ¼ A3	=	½ a X - 12-½ a Y + ¼ c Z	(As-II)	(2d)
  B4	=	1/3 A1 + 2/3 A1 + ¾ A3	=	½ a X + 12-½ a Y + ¾ c Z	(As-II)	(2d)
  B5	=	1/3 A1 + 2/3 A1 + z A3	=	½ a X + 12-½ a Y + z c Z	(Ti)	(4f)
  B6	=	1/3 A1 + 2/3 A1 + (½ - z) A3	=	½ a X + 12-½ a Y + (½ - z) c Z	(Ti)	(4f)
  B7	=	2/3 A1 + 1/3 A1 - z A3	=	½ a X - 12-½ a Y - z c Z	(Ti)	(4f)
  B6	=	2/3 A1 + 1/3 A1 + (½ + z) A3	=	½ a X - 12-½ a Y + (½ + z) c Z	(Ti)	(4f)

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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).