Crystal Lattice Structures:	Creation Date: 19 Jan 2001
	Last Modified: 21 Oct 2004

The Stannite (Cu₂FeS₄Sn, H2₆) 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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• If c = 2a, x = ¼ and z = 3/8, the atoms are on the sites of the diamond (A4) structure. If, in addition, the Cu, Fe, and Sn atoms are replace by one atom type, the crystal reduces to the Zincblende (B3) structure.
• Steve Erwin pointed out the errors in the previous listing of the Primitive and Basis Vectors.

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• Prototype: Cu₂FeS₄Sn (Stannite)
• Pearson Symbol: tI16
• Strukturbericht Designation: H2₆
• Space Group: I42m (Cartesian and lattice coordinate listings available)
• Number: 121
• Other Compounds with this Structure: Cu₂CdSe₄Sn, CoCu₂S₄Sn, Cu₂GeHgS₄, Cu₂HgS₄Sn, Ag₂FeS₄Sn
• Primitive Vectors:

  A1	=	a X
  A2	=	a Y
  A3	=	+ ½ a X + ½ a Y + ½ a Z

• Basis Vectors:

  B1	=		0		(Fe)	(2a)
  B2	=	+ ½ A1 + ½ A2	=	+ ½ a X + ½ a Y	(Sn)	(2b)
  B3	=	- ¼ A1 + ¼ A2 + ½ A3	=	+ ½ a Y + ¼ c Z	(Cu)	(4d)
  B4	=	+ ¼ A1 - ¼ A2 + ½ A3	=	+ ½ a X + ¼ c Z	(Cu)	(4d)
  B5	=	+ (x-z) A1 + (x-z) A2 + 2 z A3	=	+ x a X + x a Y + z c Z	(S)	(8i)
  B6	=	- (x+z) A1 - (x+z) A2 + 2 z A3	=	- x a X - x a Y + z c Z	(S)	(8i)
  B7	=	+ (x+z) A1 - (x-z) A2 - 2 z A3	=	+ x a X - x a Y - z c Z	(S)	(8i)
  B8	=	- (x-z) A1 + (x+z) A2 - 2 z A3	=	- x a X + x a Y - z c Z	(S)	(8i)

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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).