Crystal Lattice Structures: Reference Date: 29 Jun 1998 Last Modified: 21 Oct 2004

# The Na3As (D018) Structure

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• In Na3As the internal parameter z is approximately 7/12.
• Removing the Na-I (2b) atoms transforms this structure to MoS2 (C7).

• Prototype: Na3As
• Pearson Symbol: hP8
• Strukturbericht Designation: D018
• Space Group: P63/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Primitive Vectors:  A1 = ½ a X - ½ 3½ a Y A2 = ½ a X + ½ 3½ a Y A3 = c Z
• Basis Vectors:  B1 = 1/3 A1 + 2/3 A2 + ¼ A3 = ½ a X + 12-½ a Y + ¼ c Z (As) (2c) B2 = 2/3 A1 + 1/3 A2 + ¾ A3 = ½ a X - 12-½ a Y + ¾ c Z (As) (2c) B3 = + ¼ A3 = + ¼ c Z (Na-I) (2b) B4 = + ¾ A3 = + ¾ c Z (Na-I) (2b) B5 = 1/3 A1 + 2/3 A2 + z A3 = ½ a X + 12-½ a Y + z c Z (Na-II) (4f) B6 = 2/3 A1 + 1/3 A2 - z A3 = ½ a X - 12-½ a Y - z c Z (Na-II) (4f) B7 = 2/3 A1 + 1/3 A2 + (½ + z) A3 = ½ a X - 12-½ a Y + (½ + z) c Z (Na-II) (4f) B8 = 1/3 A1 + 2/3 A2 + (½ - z) A3 = ½ a X + 12-½ a Y + (½ - z) c Z (Na-II) (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).