The Stannite (Cu₂ Fe S₄ Sn, H2₆) Structure

Last modified 19 July 2001

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• Prototype: Cu₂FeS₄Sn (Stannite)
• Pearson Symbol: tI16
• Strukturbericht Designation: H2₆
• Space Group: I(-4)2m (Cartesian and lattice coordinate listings available)
• Number: 121
• Other Compounds with this Structure: Cu₂CdSe₄Sn, CoCu₂S₄Sn, Cu₂GeHgS₄, Cu₂HgS₄Sn, Ag₂FeS₄Sn
• Steve Erwin pointed out the errors in the previous listing of the Primitive and Basis Vectors.
• Primitive Vectors:
  • A₁ = a X
  • A₂ = a Y
  • A₃ = ½ a X + ½ a Y + ½ c Z
• Basis Vectors:

  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.
  
  

  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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