Crystal Lattice Structures:	Creation Date: 15 Oct 2002
	Last Modified: 21 Oct 2004

The AsCu₃S₄ (Enargite, H2₅) Structure

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• 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 structure should not be confused with the Lazarevicite form of AsCu₃S₄, which is related to an sp³ cubic structure.

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• Prototype: AsCu₃S₄
• Pearson Symbol: oP16
• Strukturbericht Designation: H2₅
• Space Group: Pm2₁ (Cartesian and lattice coordinate listings available)
• Number: 31
• Other compounds with this structure: As₂CdGeS₄, Cu₃PSe₄, Cu₃PS₄, Cu₃S₄Sb, CdCu₂GeS₄.
• Primitive Vectors:

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

• Basis Vectors:

  B1	=		+ y1 b Y	+ z1 c Z	(As)	(2a)
  B2	=	½ a X	- y1 b Y	+ (½ + z1) c Z	(As)	(2a)
  B3	=		+ y2 b Y	+ z2 c Z	(Cu-I)	(2a)
  B4	=	½ a X	- y2 b Y	+ (½ + z2) c Z	(Cu-I)	(2a)
  B5	=		+ y3 b Y	+ z3 c Z	(S-I)	(2a)
  B6	=	½ a X	- y3 b Y	+ (½ + z3) c Z	(S-I)	(2a)
  B7	=		+ y4 b Y	+ z4 c Z	(S-II)	(2a)
  B8	=	½ a X	- y4 b Y	+ (½ + z4) c Z	(S-II)	(2a)
  B9	=	+ x5 a X	+ y5 b Y	+ z5 c Z	(Cu-II)	(4b)
  B10	=	- x5 a X	+ y5 b Y	+ z5 c Z	(Cu-II)	(4b)
  B11	=	+ (½ - x5) a X	- y5 b Y	+ (½ + z5) c Z	(Cu-II)	(4b)
  B12	=	+ (½ + x5) a X	- y5 b Y	+ (½ + z5) c Z	(Cu-II)	(4b)
  B13	=	+ x6 a X	+ y6 b Y	+ z6 c Z	(S-III)	(4b)
  B14	=	- x6 a X	+ y6 b Y	+ z6 c Z	(S-III)	(4b)
  B15	=	+ (½ - x6) a X	- y6 b Y	+ (½ + z6) c Z	(S-III)	(4b)
  B16	=	+ (½ + x6) a X	- y6 b Y	+ (½ + z6) c Z	(S-III)	(4b)

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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).