Crystal Lattice Structures: Creation Date:  6 Apr 1999 Last Modified: 21 Oct 2004

# The Calcite (CaCO3) Structure

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• Prototype: CaCO3
• Pearson Symbol: hR10
• Space Group: R3c (Cartesian and lattice coordinate listings available)
• Number: 167
• Primitive Vectors:  A1 = a X + c Z A2 = - ½ a X + ½ 3½ a Y + c Z A3 = - ½ a X - ½ 3½ a Y + c Z
• Basis Vectors:
 B 1 = 0 (2b) (Ca) B 2 = ½ (A1 + A2 + A3) = 3/2 c Z (2b) (Ca) B 3 = ¼ (A1 + A2 + A3) = 3/4 c Z (2a) (C) B 4 = ¾ (A1 + A2 + A3) = 9/4 c Z (2a) (C) B 5 = + x A1 + (½-x) A2 + ¼ A3 = - 3/8 (1 - 4 x) a X + 3½/8 (1 - 4 x) a Y + 3/4 c Z (6e) (O) B 6 = + (½-x) A1 + ¼ A2 + x A3 = + 3/8 (1 - 4 x) a X + 3½/8 (1 - 4 x) a Y + 3/4 c Z (6e) (O) B 7 = + ¼ A1 + x A2 + (½-x) A3 = - 3½/8 (1 - 4 x) a Y + 3/4 c Z (6e) (O) B 8 = - x A1 + (½+x) A2 + ¾ A3 = - 1/8 (5 + 12 x) a X - 3½/8 (1 - 4 x) a Y + 5/4 c Z (6e) (O) B 9 = + (½+x) A1 + ¾ A2 - x A3 = + 1/8 (1 + 12 x) a X + 3½/8 (3 + 4 x) a Y + 5/4 c Z (6e) (O) B10 = + ¾ A1 - x A2 + (½+x) A3 = ½ a X - 3½/4 (1 + 4 x) a Y + 5/4 c Z (6e) (O)

### See these vectors in LaTex output format.

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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).