Crystal Lattice Structures: Reference Date:  5 Apr 2001 Last Modified: 21 Oct 2004

The Skutterudite (As3Co, D02) Structure

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• Prototype: As3Co (Skutterudite)
• Pearson Symbol: cI32
• Strukturbericht Designation: D02
• Space Group: Im3 (Cartesian and lattice coordinate listings available)
• Number: 204
• Primitive Vectors:  A1 = -½ a X + ½ a Y + ½ a Z A2 = + ½ a X - ½ a Y + ½ a Z A3 = + ½ a X + ½ a Y - ½ a Z
• Basis Vectors:  B1 = ½ A1 = - ¼ a X + ¼ a Y + ¼ a Z (Co) (8c) B2 = ½ A2 = + ¼ a X - ¼ a Y + ¼ a Z (Co) (8c) B3 = ½ A3 = + ¼ a X + ¼ a Y - ¼ a Z (Co) (8c) B4 = ½ A1 + ½ A2 + ½ A3 = + ¼ a X + ¼ a Y - ¼ a Z (Co) (8c) B5 = + (y+z) A1 + z A2 + y A3 = + y a Y + z a Z (As) (24g) B6 = + (y-z) A1 - z A2 + y A3 = + y a Y - z a Z (As) (24g) B7 = + y A1 + (y+z) A2 + z A3 = + z a X + y a Z (As) (24g) B8 = + y A1 + (y-z) A2 - z A3 = - z a X + y a Z (As) (24g) B9 = + z A1 + y A2 + (y+z) A3 = + y a X + z a Y (As) (24g) B10 = - z A1 + y A2 + (y-z) A3 = + y a X - z a Y (As) (24g) B11 = - (y+z) A1 - z A2 - y A3 = - y a Y - z a Z (As) (24g) B12 = + (z-y) A1 + z A2 - y A3 = - y a Y + z a Z (As) (24g) B13 = - y A1 - (y+z) A2 - z A3 = - z a X - y a Z (As) (24g) B14 = - y A1 + (z-y) A2 + z A3 = + z a X - y a Z (As) (24g) B15 = - z A1 - y A2 - (y+z) A3 = - y a X - z a Y (As) (24g) B16 = + z A1 - y A2 + (z-y) A3 = - y a X + z a Y (As) (24g)

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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).