Crystal Lattice Structures:	Creation Date: 22 Feb 2002
	Last Modified: 21 Oct 2004

The CuS (B18) 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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• Note that the previous version of this page had numerous errors in the basis vectors. The download coordinates were always correct.

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• Prototype: CuS
• Pearson Symbol: hP12
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Other compounds with this structure: CuSe
• Primitive Vectors:

  A1 =	½ a X - ½ 31/2 a Y
  A2 =	½ a X + ½ 31/2 a Y
  A3 =	c Z

• Basis Vectors:

  B1	=	1/3 A1 + 2/3 A2 + ¼ A3	=	½ a X + 12-½ a Y + ¼ c Z	(2c)	(S-I)
  B2	=	2/3 A1 + 1/3 A2 + ¾ A3	=	½ a X - 12-½ a Y + ¾ c Z	(2c)	(S-I)
  B3	=	2/3 A1 + 1/3 A2 + ¼ A3	=	½ a X - 12-½ a Y + ¼ c Z	(2d)	(Cu-I)
  B4	=	1/3 A1 + 2/3 A2 + ¾ A3	=	½ a X + 12-½ a Y + ¾ c Z	(2d)	(Cu-I)
  B5	=	+ z1 A3	=	+ z1 c Z	(4e)	(S-II)
  B6	=	- z1 A3	=	- z1 c Z	(4e)	(S-II)
  B7	=	(½ + z1) A3	=	(½ + z1) c Z	(4e)	(S-II)
  B8	=	(½ - z1) A3	=	(½ - z1) c Z	(4e)	(S-II)
  B9	=	1/3 A1 + 2/3 A2 + z2 A3	=	½ a X + 12-½ a Y + z2 c Z	(2c)	(S-I)
  B10	=	2/3 A1 + 1/3 A2 - z2 A3	=	½ a X - 12-½ a Y - z2 c Z	(2c)	(S-I)
  B11	=	2/3 A1 + 1/3 A2 + (½ + z2) A3	=	½ a X - 12-½ a Y + (½ + z2) c Z	(2d)	(Cu-I)
  B12	=	1/3 A1 + 2/3 A2 + (½ - z2) A3	=	½ a X + 12-½ a Y + (½ - z2) c Z	(2d)	(Cu-I)

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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).