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

# The AsTi (Bi) Structure

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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.

• Prototype: AsTi
• Pearson Symbol: hP8
• Strukturbericht Designation: Bi
• 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: 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).