Crystal Lattice Structures: Creation Date: 12 Mar 2007 Last Modified: 12 Mar 2007

The CaC6 Structure

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• This is a superconductor, with Tc = 11.5 K.

• Prototype: CaC6
• Pearson Symbol: hR7
• Strukturbericht Designation: None
• Space Group: R3m (Cartesian and lattice coordinate listings available)
• Number: 166
• Other Elements and Compounds with this Structure: none known
• Reference: Emery et al., Phys. Rev. Lett. 95, 087003 (2005).
• Primitive Vectors:  A1 = ½ a X - 12-½ a Y + 1/3 c Z A2 = 3-½ a Y + 1/3 c Z A3 = - ½ a X - 12-½ a Y + 1/3 c Z
• Basis Vectors:  B1 = 0 (Ca) (1a) B2 = + ½ A1 + x A2 - x A3 = + ¼ (1 + 2 x) a X - 48-½ (1 - 6 x) a Y + 1/6 c Z (C) (6g) B3 = - x A1 + ½ A2 + x A3 = - x a X + 12-½ a Y + 1/6 c Z (C) (6g) B4 = + x A1 - x A2 + ½ A3 = - ¼ (1 - 2 x) a X - 48-½ (1 + 6 x) a Y + 1/6 c Z (C) (6g) B5 = + ½ A1 - x A2 + x A3 = + ¼ (1 - 2 x) a X - 48-½ (1 + 6 x) a Y + 1/6 c Z (C) (6g) B6 = + x A1 + ½ A2 - x A3 = + x a X + 12-½ a Y + 1/6 c Z (C) (6g) B7 = - x A1 + x A2 + ½ A3 = - ¼ (1 + 2 x) a X - 48-½ (1 - 6 x) a Y + 1/6 c Z (C) (6g)

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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).