Crystal Lattice Structures:	Creation Date:  6 Oct 2002
	Last Modified: 21 Oct 2004

The CaCl₂ (C35) 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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• This is the same structure as Marcasite (C18).
• Also look at the similar structure Fe₂C, which puts Fe on the (4g) sites and C on the (2a) sites

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• Prototype: CaCl₂
• Pearson Symbol: oP6
• Strukturbericht Designation: C35
• Space Group: Pnnm (Cartesian and lattice coordinate listings available)
• Number: 58
• Reference: Strukturbericht, Vol III, p. 30.
• Primitive Vectors:

  A1	=	a X
  A2	=	b Y
  A3	=	c Z

• Basis Vectors:

  B1	=		0		(Ca)	(2a)
  B2	=	+ ½ A1 + ½ A2 + ½ A3	=	+ ½ a Y + ½ b Y + ½ c Z	(Ca)	(2a)
  B3	=	+ x A1 + y A2	=	+ x a Y + y b Y	(Cl)	(4g)
  B4	=	- x A1 - y A2	=	- x a Y - y b Y	(Cl)	(4g)
  B5	=	+ (½ - x) A1 + (½ + y) A2 + ½ A3	=	+ (½ - x) a Y + (½ + y) b Y + ½ c Z	(Cl)	(4g)
  B6	=	+ (½ + x) A1 + (½ - y) A2 + ½ A3	=	+ (½ + x) a Y + (½ - y) b Y + ½ c Z	(Cl)	(4g)

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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).