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

The Calcite (CaCO₃) Structure

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• Thanks to Mohammed Lachhab for finding this structure in Slater's book, Symmetry and Energy Bands in Crystals. You can also see this structure in the Mineral Crystal Structures database.

• 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: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The 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).